- Montero-Campillo, MM, Mó, O, Alkorta, I, Elguero, J, Yáñez, M. Disrupting bonding in azoles through beryllium bonds: Unexpected coordination patterns and acidity enhancement. J Chem Phys. 2022;156 (19):194303. doi: 10.1063/5.0089716. PubMed PMID:35597641 .
- Alkorta, I, Legon, A. Nucleophilicity of the boron atom in compounds R-B, (R = F, Cl, Br, I, CN, NC, CH3, SiH3, CF3, H): a new look at the inductive effects of the group R. Phys Chem Chem Phys. 2022; :. doi: 10.1039/d2cp01565j. PubMed PMID:35593316 .
- Martí-Marí, O, Martínez-Gualda, B, Fernández-Barahona, I, Mills, A, Abdelnabi, R, Noppen, S et al.. Organotropic dendrons with high potency as HIV-1, HIV-2 and EV-A71 cell entry inhibitors. Eur J Med Chem. 2022;237 :114414. doi: 10.1016/j.ejmech.2022.114414. PubMed PMID:35512567 .
- Calvillo-Robledo, A, Cervantes-Villagrana, RD, Morales, P, Marichal-Cancino, BA. The oncogenic lysophosphatidylinositol (LPI)/GPR55 signaling. Life Sci. 2022;301 :120596. doi: 10.1016/j.lfs.2022.120596. PubMed PMID:35500681 .
- García, MM, Molina-Álvarez, M, Rodríguez-Rivera, C, Paniagua, N, Quesada, E, Uranga, JA et al.. Antinociceptive and modulatory effect of pathoplastic changes in spinal glia of a TLR4/CD14 blocking molecule in two models of pain in rat. Biomed Pharmacother. 2022;150 :112986. doi: 10.1016/j.biopha.2022.112986. PubMed PMID:35462333 .
- Was, H, Borkowska, A, Bagues, A, Tu, L, Liu, JYH, Lu, Z et al.. Mechanisms of Chemotherapy-Induced Neurotoxicity. Front Pharmacol. 2022;13 :750507. doi: 10.3389/fphar.2022.750507. PubMed PMID:35418856 PubMed Central PMC8996259.
- Alkorta, I, Claramunt, RM, Elguero, J, Gutiérrez-Puebla, E, Monge, MÁ, Reviriego, F et al.. Study of the Addition Mechanism of 1H-Indazole and Its 4-, 5-, 6-, and 7-Nitro Derivatives to Formaldehyde in Aqueous Hydrochloric Acid Solutions. J Org Chem. 2022;87 (9):5866-5881. doi: 10.1021/acs.joc.2c00154. PubMed PMID:35405072 PubMed Central PMC9087356.
- Yáñez, M, Ortíz-Chi, F, Merino, G, Alkorta, I. Dismantlement of ammonia upon interaction with Ben (n ≤ 10) clusters. J Comput Chem. 2022; :. doi: 10.1002/jcc.26843. PubMed PMID:35297069 .
- Sanz-Gómez, M, Aledavood, E, Beroiz-Salaverri, M, Lagartera, L, Vega-Martín, E, Gil-Ortega, M et al.. Novel indolic AMPK modulators induce vasodilatation through activation of the AMPK-eNOS-NO pathway. Sci Rep. 2022;12 (1):4225. doi: 10.1038/s41598-022-07077-8. PubMed PMID:35273216 PubMed Central PMC8913687.
- Martín-Escura, C, Medina-Peris, A, Spear, LA, de la Torre Martínez, R, Olivos-Oré, LA, Barahona, MV et al.. β-Lactam TRPM8 Antagonist RGM8-51 Displays Antinociceptive Activity in Different Animal Models. Int J Mol Sci. 2022;23 (5):. doi: 10.3390/ijms23052692. PubMed PMID:35269831 PubMed Central PMC8910920.
- Alkorta, I, Legon, A. A reduced electrophilicity for simple Lewis acids A involved in non-covalent interactions with Lewis bases B. Phys Chem Chem Phys. 2022;24 (11):6856-6865. doi: 10.1039/d2cp00779g. PubMed PMID:35253037 .
- Grzelak, J, Gázquez, J, Grayston, A, Teles, M, Herranz, F, Roher, N et al.. Magnetic Mesoporous Silica Nanorods Loaded with Ceria and Functionalized with Fluorophores for Multimodal Imaging. ACS Appl Nano Mater. 2022;5 (2):2113-2125. doi: 10.1021/acsanm.1c03837. PubMed PMID:35252779 PubMed Central PMC8886853.
- Herrera-Arozamena, C, Estrada-Valencia, M, López-Caballero, P, Pérez, C, Morales-García, JA, Pérez-Castillo, A et al.. Resveratrol-Based MTDLs to Stimulate Defensive and Regenerative Pathways and Block Early Events in Neurodegenerative Cascades. J Med Chem. 2022;65 (6):4727-4751. doi: 10.1021/acs.jmedchem.1c01883. PubMed PMID:35245051 PubMed Central PMC8958504.
- Martín-Fernández, C, Alkorta, I, Montero-Campillo, MM, Elguero, J. Stand up for Electrostatics: The Disiloxane Case. Chemphyschem. 2022;23 (9):e202200088. doi: 10.1002/cphc.202200088. PubMed PMID:35235247 .
- Socuéllamos, PG, Olivos-Oré, LA, Barahona, MV, Cercós, P, Pérez Pascual, M, Arribas-Blázquez, M et al.. IQM-PC332, a Novel DREAM Ligand with Antinociceptive Effect on Peripheral Nerve Injury-Induced Pain. Int J Mol Sci. 2022;23 (4):. doi: 10.3390/ijms23042142. PubMed PMID:35216258 PubMed Central PMC8876042.
- Duarte, P, Michalska, P, Crisman, E, Cuadrado, A, León, R. Novel Series of Dual NRF2 Inducers and Selective MAO-B Inhibitors for the Treatment of Parkinson's Disease. Antioxidants (Basel). 2022;11 (2):. doi: 10.3390/antiox11020247. PubMed PMID:35204129 PubMed Central PMC8868346.
- Szymaszkiewicz, A, López-Gómez, L, Zielińska, M, Abalo, R. Nutraceuticals and peripheral glial cells: a possible link?. J Integr Neurosci. 2022;21 (1):1. doi: 10.31083/j.jin2101001. PubMed PMID:35164437 .
- Pérez-Pérez, MJ, Saiz, JC, Priego, EM, Martín-Acebes, MA. Antivirals against (Re)emerging Flaviviruses: Should We Target the Virus or the Host?. ACS Med Chem Lett. 2022;13 (1):5-10. doi: 10.1021/acsmedchemlett.1c00617. PubMed PMID:35059112 PubMed Central PMC8762743.
- Cores, Á, Michalska, P, Pérez, JM, Crisman, E, Gómez, C, Villacampa, M et al.. Enantioselective Synthesis and Pharmacological Evaluation of Aza-CGP37157-Lipoic Acid Hybrids for the Treatment of Alzheimer's Disease. Antioxidants (Basel). 2022;11 (1):. doi: 10.3390/antiox11010112. PubMed PMID:35052616 PubMed Central PMC8772772.
- Bagues, A, López-Tofiño, Y, Llorente-Berzal, Á, Abalo, R. Cannabinoid drugs against chemotherapy-induced adverse effects: focus on nausea/vomiting, peripheral neuropathy and chemofog in animal models. Behav Pharmacol. 2022;33 (2&3):105-129. doi: 10.1097/FBP.0000000000000667. PubMed PMID:35045012 .
- Fueyo-González, F, Espinar-Barranco, L, Herranz, R, Alkorta, I, Crovetto, L, Fribourg, M et al.. Self-Assembled Lanthanide Antenna Glutathione Sensor for the Study of Immune Cells. ACS Sens. 2022;7 (1):322-330. doi: 10.1021/acssensors.1c02439. PubMed PMID:35034437 PubMed Central PMC8805117.
- Alkorta, I, Benito, MT, Elguero, J, Doyagüez, EG, Patterson, MR, Jimeno, ML et al.. The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5-(CF3 )2 Pz]Ag}3. Magn Reson Chem. 2022;60 (4):442-451. doi: 10.1002/mrc.5242. PubMed PMID:34935188 .
- Mercado, E, Paniagua, N, Sánchez-Robles, EM, Girón, R, Alvarez de la Rosa, D, Giraldez, T et al.. SGK1.1 isoform is involved in nociceptive modulation, offering a protective effect against noxious cold stimulus in a sexually dimorphic manner. Pharmacol Biochem Behav. 2022;212 :173302. doi: 10.1016/j.pbb.2021.173302. PubMed PMID:34838531 .
- Quaglio, D, Zhdanovskaya, N, Tobajas, G, Cuartas, V, Balducci, S, Christodoulou, MS et al.. Chalcones and Chalcone-mimetic Derivatives as Notch Inhibitors in a Model of T-cell Acute Lymphoblastic Leukemia. ACS Med Chem Lett. 2019;10 (4):639-643. doi: 10.1021/acsmedchemlett.8b00608. PubMed PMID:30996810 PubMed Central PMC6466818.
Search PubMed
- Carregal-Romero, S, Groult, H, Cañadas, O, A-Gonzalez, N, Lechuga-Vieco, AV, García-Fojeda, B et al.. Delayed alveolar clearance of nanoparticles through control of coating composition and interaction with lung surfactant protein A. Mater Sci Eng C Mater Biol Appl. 2021; :112551. doi: 10.1016/j.msec.2021.112551. PubMed PMID:35513950 .
- Pérez-Pérez, MJ, Saiz, JC, Priego, EM, Martín-Acebes, MA. Antivirals against (Re)emerging Flaviviruses: Should We Target the Virus or the Host?. ACS Med Chem Lett. 2022;13 (1):5-10. doi: 10.1021/acsmedchemlett.1c00617. PubMed PMID:35059112 PubMed Central PMC8762743.
- Cores, Á, Carmona-Zafra, N, Martín-Cámara, O, Sánchez, JD, Duarte, P, Villacampa, M et al.. Curcumin-Piperlongumine Hybrids with a Multitarget Profile Elicit Neuroprotection in In Vitro Models of Oxidative Stress and Hyperphosphorylation. Antioxidants (Basel). 2021;11 (1):. doi: 10.3390/antiox11010028. PubMed PMID:35052532 PubMed Central PMC8773050.
- Macario, A, Blanco, S, Alkorta, I, López, JC. Perfluorination of Aromatic Compounds Reinforce Their van der Waals Interactions with Rare Gases: The Rotational Spectrum of Pentafluoropyridine-Ne. Molecules. 2021;27 (1):. doi: 10.3390/molecules27010017. PubMed PMID:35011244 PubMed Central PMC8746256.
- Burgaz, S, García, C, Gonzalo-Consuegra, C, Gómez-Almería, M, Ruiz-Pino, F, Unciti, JD et al.. Preclinical Investigation in Neuroprotective Effects of the GPR55 Ligand VCE-006.1 in Experimental Models of Parkinson's Disease and Amyotrophic Lateral Sclerosis. Molecules. 2021;26 (24):. doi: 10.3390/molecules26247643. PubMed PMID:34946726 PubMed Central PMC8708356.
- Boullon, L, Abalo, R, Llorente-Berzal, Á. Cannabinoid Drugs-Related Neuroprotection as a Potential Therapeutic Tool Against Chemotherapy-Induced Cognitive Impairment. Front Pharmacol. 2021;12 :734613. doi: 10.3389/fphar.2021.734613. PubMed PMID:34867342 PubMed Central PMC8632779.
- Mercado, E, Paniagua, N, Sánchez-Robles, EM, Girón, R, Alvarez de la Rosa, D, Giraldez, T et al.. SGK1.1 isoform is involved in nociceptive modulation, offering a protective effect against noxious cold stimulus in a sexually dimorphic manner. Pharmacol Biochem Behav. 2022;212 :173302. doi: 10.1016/j.pbb.2021.173302. PubMed PMID:34838531 .
- Gargantilla, M, López-Fernández, J, Camarasa, MJ, Persoons, L, Daelemans, D, Priego, EM et al.. Inhibition of XPO-1 Mediated Nuclear Export through the Michael-Acceptor Character of Chalcones. Pharmaceuticals (Basel). 2021;14 (11):. doi: 10.3390/ph14111131. PubMed PMID:34832913 PubMed Central PMC8621101.
- Sánchez-Robles, EM, Girón, R, Paniagua, N, Rodríguez-Rivera, C, Pascual, D, Goicoechea, C et al.. Monoclonal Antibodies for Chronic Pain Treatment: Present and Future. Int J Mol Sci. 2021;22 (19):. doi: 10.3390/ijms221910325. PubMed PMID:34638667 PubMed Central PMC8508878.
- Pellico, J, Fernández-Barahona, I, Ruiz-Cabello, J, Gutiérrez, L, Muñoz-Hernando, M, Sánchez-Guisado, MJ et al.. HAP-Multitag, a PET and Positive MRI Contrast Nanotracer for the Longitudinal Characterization of Vascular Calcifications in Atherosclerosis. ACS Appl Mater Interfaces. 2021;13 (38):45279-45290. doi: 10.1021/acsami.1c13417. PubMed PMID:34529427 PubMed Central PMC8485330.
- Díez-Villares, S, Pellico, J, Gómez-Lado, N, Grijalvo, S, Alijas, S, Eritja, R et al.. Biodistribution of 68/67Ga-Radiolabeled Sphingolipid Nanoemulsions by PET and SPECT Imaging. Int J Nanomedicine. 2021;16 :5923-5935. doi: 10.2147/IJN.S316767. PubMed PMID:34475757 PubMed Central PMC8405882.
- Ferreira-Gomes, J, Garcia, MM, Nascimento, D, Almeida, L, Quesada, E, Castro-Lopes, JM et al.. TLR4 Antagonism Reduces Movement-Induced Nociception and ATF-3 Expression in Experimental Osteoarthritis. J Pain Res. 2021;14 :2615-2627. doi: 10.2147/JPR.S317877. PubMed PMID:34466029 PubMed Central PMC8403032.
- Tovar, R, Gavito, AL, Vargas, A, Soverchia, L, Hernandez-Folgado, L, Jagerovic, N et al.. Palmitoleoylethanolamide Is an Efficient Anti-Obesity Endogenous Compound: Comparison with Oleylethanolamide in Diet-Induced Obesity. Nutrients. 2021;13 (8):. doi: 10.3390/nu13082589. PubMed PMID:34444748 PubMed Central PMC8400335.
- Benavente, JL, Siliqi, D, Infantes, L, Lagartera, L, Mills, A, Gago, F et al.. The structure and flexibility analysis of the Arabidopsis synaptotagmin 1 reveal the basis of its regulation at membrane contact sites. Life Sci Alliance. 2021;4 (10):. doi: 10.26508/lsa.202101152. PubMed PMID:34408000 PubMed Central PMC8380656.
- Butrón, D, Zamora-Carreras, H, Devesa, I, Treviño, MA, Abian, O, Velázquez-Campoy, A et al.. DD04107-Derived neuronal exocytosis inhibitor peptides: Evidences for synaptotagmin-1 as a putative target. Bioorg Chem. 2021;115 :105231. doi: 10.1016/j.bioorg.2021.105231. PubMed PMID:34388485 .
- Bagues, A, Lopez-Tofiño, Y, Galvez-Robleño, C, Abalo, R. Effects of two different acute and subchronic stressors on gastrointestinal transit in the rat: A radiographic analysis. Neurogastroenterol Motil. 2021;33 (11):e14232. doi: 10.1111/nmo.14232. PubMed PMID:34378822 .
- Ferrer, M, Alkorta, I, Elguero, J, Oliva-Enrich, JM. Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups. J Phys Chem A. 2021;125 (32):6976-6984. doi: 10.1021/acs.jpca.1c04787. PubMed PMID:34375528 PubMed Central PMC8389994.
- Revuelto, A, López-Martín, I, de Lucio, H, García-Soriano, JC, Zanda, N, de Castro, S et al.. Small Molecule-Peptide Conjugates as Dimerization Inhibitors of Leishmania infantum Trypanothione Disulfide Reductase. Pharmaceuticals (Basel). 2021;14 (7):. doi: 10.3390/ph14070689. PubMed PMID:34358115 PubMed Central PMC8308777.
- Iribarren, I, Sánchez-Sanz, G, Elguero, J, Alkorta, I, Trujillo, C. Reactivity of Coinage Metal Hydrides for the Production of H2 Molecules. ChemistryOpen. 2021;10 (8):722-723. doi: 10.1002/open.202100173. PubMed PMID:34351077 PubMed Central PMC8340065.
- López, JC, Macario, A, Maris, A, Alkorta, I, Blanco, S. How Aromatic Fluorination Exchanges the Interaction Role of Pyridine with Carbonyl Compounds: The Formaldehyde Adduct. Chemistry. 2021;27 (55):13870-13878. doi: 10.1002/chem.202102163. PubMed PMID:34347915 PubMed Central PMC8518414.
- Iribarren, I, Sánchez-Sanz, G, Elguero, J, Alkorta, I, Trujillo, C. Reactivity of Coinage Metal Hydrides for the Production of H2 Molecules. ChemistryOpen. 2021;10 (8):724-730. doi: 10.1002/open.202100108. PubMed PMID:34319005 PubMed Central PMC8340072.
- Sanchez-Andrada, P, Vidal-Vidal, A, Prieto, T, Elguero, J, Alkorta, I, Marin-Luna, M et al.. Alkylammonium Cation Affinities of Nitrogenated Organobases: The Roles of Hydrogen Bonding and Proton Transfer. Chempluschem. 2021;86 (8):1097-1105. doi: 10.1002/cplu.202100235. PubMed PMID:34251758 .
- Martí-Marí, O, Martínez-Gualda, B, de la Puente-Secades, S, Mills, A, Quesada, E, Abdelnabi, R et al.. Double Arylation of the Indole Side Chain of Tri- and Tetrapodal Tryptophan Derivatives Renders Highly Potent HIV-1 and EV-A71 Entry Inhibitors†. J Med Chem. 2021;64 (14):10027-10046. doi: 10.1021/acs.jmedchem.1c00315. PubMed PMID:34229438 PubMed Central PMC8389807.
- López-Gómez, L, Szymaszkiewicz, A, Zielińska, M, Abalo, R. Nutraceuticals and Enteric Glial Cells. Molecules. 2021;26 (12):. doi: 10.3390/molecules26123762. PubMed PMID:34205534 PubMed Central PMC8234579.
- Cores, Á, Abril, S, Michalska, P, Duarte, P, Olives, AI, Martín, MA et al.. Bisavenathramide Analogues as Nrf2 Inductors and Neuroprotectors in In Vitro Models of Oxidative Stress and Hyperphosphorylation. Antioxidants (Basel). 2021;10 (6):. doi: 10.3390/antiox10060941. PubMed PMID:34200859 PubMed Central PMC8230565.
- I-Ting, T, Montero-Campillo, MM, Alkorta, I, Elguero, J, Yáñez, M. Large Stabilization Effects by Intramolecular Beryllium Bonds in Ortho-Benzene Derivatives. Molecules. 2021;26 (11):. doi: 10.3390/molecules26113401. PubMed PMID:34199746 PubMed Central PMC8199991.
- Alkorta, I, Elguero, J, Del Bene, JE. Perturbing the O-H…O Hydrogen Bond in 1-oxo-3-hydroxy-2-propene. Molecules. 2021;26 (11):. doi: 10.3390/molecules26113086. PubMed PMID:34064185 PubMed Central PMC8196739.
- Iribarren, I, Sánchez-Sanz, G, Alkorta, I, Elguero, J, Trujillo, C. Evaluation of Electron Density Shifts in Noncovalent Interactions. J Phys Chem A. 2021;125 (22):4741-4749. doi: 10.1021/acs.jpca.1c00830. PubMed PMID:34061527 PubMed Central PMC8279648.
- Alkorta, I, Legon, AC. The Electrophilicities of XCF3 and XCl (X=H, Cl, Br, I) and the Propensity of These Molecules To Form Hydrogen and Halogen Bonds with Lewis Bases: An Ab Initio Study. Chempluschem. 2021;86 (5):778-784. doi: 10.1002/cplu.202100088. PubMed PMID:33988921 .
- Revuelto, A, de Lucio, H, García-Soriano, JC, Sánchez-Murcia, PA, Gago, F, Jiménez-Ruiz, A et al.. Efficient Dimerization Disruption of Leishmania infantum Trypanothione Reductase by Triazole-phenyl-thiazoles. J Med Chem. 2021;64 (9):6137-6160. doi: 10.1021/acs.jmedchem.1c00206. PubMed PMID:33945281 PubMed Central PMC8480782.
- Cueto-Díaz, EJ, Ebiloma, GU, Alfayez, IA, Ungogo, MA, Lemgruber, L, González-García, MC et al.. Synthesis, biological, and photophysical studies of molecular rotor-based fluorescent inhibitors of the trypanosome alternative oxidase. Eur J Med Chem. 2021;220 :113470. doi: 10.1016/j.ejmech.2021.113470. PubMed PMID:33940464 .
- Kovacikova, K, Gorostiola González, M, Jones, R, Reguera, J, Gigante, A, Pérez-Pérez, MJ et al.. Structural Insights into the Mechanisms of Action of Functionally Distinct Classes of Chikungunya Virus Nonstructural Protein 1 Inhibitors. Antimicrob Agents Chemother. 2021;65 (7):e0256620. doi: 10.1128/AAC.02566-20. PubMed PMID:33875421 PubMed Central PMC8218635.
- Ruiz-Santaquiteria, M, Illescas, BM, Abdelnabi, R, Boonen, A, Mills, A, Martí-Marí, O et al.. Multivalent Tryptophan- and Tyrosine-Containing [60]Fullerene Hexa-Adducts as Dual HIV and Enterovirus A71 Entry Inhibitors. Chemistry. 2021;27 (41):10700-10710. doi: 10.1002/chem.202101098. PubMed PMID:33851758 PubMed Central PMC8361981.
- Grieco, I, Bissaro, M, Tiz, DB, Perez, DI, Perez, C, Martinez, A et al.. Developing novel classes of protein kinase CK1δ inhibitors by fusing [1,2,4]triazole with different bicyclic heteroaromatic systems. Eur J Med Chem. 2021;216 :113331. doi: 10.1016/j.ejmech.2021.113331. PubMed PMID:33721670 .
- Bonache, MÁ, Llabrés, PJ, Martín-Escura, C, De la Torre-Martínez, R, Medina-Peris, A, Butrón, L et al.. Phenylalanine-Derived β-Lactam TRPM8 Modulators. Configuration Effect on the Antagonist Activity. Int J Mol Sci. 2021;22 (5):. doi: 10.3390/ijms22052370. PubMed PMID:33673444 PubMed Central PMC7956626.
- Cercós, P, Peraza, DA, Benito-Bueno, A, Socuéllamos, PG, Aziz-Nignan, A, Arrechaga-Estévez, D et al.. Pharmacological Approaches for the Modulation of the Potassium Channel KV4.x and KChIPs. Int J Mol Sci. 2021;22 (3):. doi: 10.3390/ijms22031419. PubMed PMID:33572566 PubMed Central PMC7866805.
- Mazarío, E, Cañete, M, Herranz, F, Sánchez-Marcos, J, de la Fuente, JM, Herrasti, P et al.. Highly Efficient T2 Cobalt Ferrite Nanoparticles Vectorized for Internalization in Cancer Cells. Pharmaceuticals (Basel). 2021;14 (2):. doi: 10.3390/ph14020124. PubMed PMID:33562703 PubMed Central PMC7914706.
- Ibáñez-Escribano, A, Reviriego, F, Vela, N, Fonseca-Berzal, C, Nogal-Ruiz, JJ, Arán, VJ et al.. Promising hit compounds against resistant trichomoniasis: Synthesis and antiparasitic activity of 3-(ω-aminoalkoxy)-1-benzyl-5-nitroindazoles. Bioorg Med Chem Lett. 2021;37 :127843. doi: 10.1016/j.bmcl.2021.127843. PubMed PMID:33556576 .
- Morales, P, Jagerovic, N. Synthetic and Natural Derivatives of Cannabidiol. Adv Exp Med Biol. 2021;1297 :11-25. doi: 10.1007/978-3-030-61663-2_2. PubMed PMID:33537934 .
- Davies, MP, Benitez, R, Perez, C, Jakupovic, S, Welsby, P, Rzepecka, K et al.. Structure-Based Design of Potent Selective Nanomolar Type-II Inhibitors of Glycogen Synthase Kinase-3β. J Med Chem. 2021;64 (3):1497-1509. doi: 10.1021/acs.jmedchem.0c01568. PubMed PMID:33499592 .
- Ximenis, M, Mulet, J, Sala, S, Sala, F, Criado, M, González-Muñiz, R et al.. Natural Polyhydroxy Flavonoids, Curcuminoids, and Synthetic Curcumin Analogs as α7 nAChRs Positive Allosteric Modulators. Int J Mol Sci. 2021;22 (2):. doi: 10.3390/ijms22020973. PubMed PMID:33478095 PubMed Central PMC7835927.
- González-Muñiz, R, Bonache, MÁ, Pérez de Vega, MJ. Modulating Protein-Protein Interactions by Cyclic and Macrocyclic Peptides. Prominent Strategies and Examples. Molecules. 2021;26 (2):. doi: 10.3390/molecules26020445. PubMed PMID:33467010 PubMed Central PMC7830901.
- Marín-Luna, M, Sánchez-Andrada, P, Alkorta, I, Elguero, J, Torralba, MC, Delgado-Martínez, P et al.. A structural analysis of 2,5-diaryl-4H-2,4-dihydro-3H-1,2,4-triazol-3-ones: NMR in the solid state, X-ray crystallography, and GIPAW calculations. Magn Reson Chem. 2021;59 (4):423-438. doi: 10.1002/mrc.5107. PubMed PMID:33464666 .
- Delogu, GL, Kumar, A, Gatto, G, Bustelo, F, Saavedra, LM, Rodríguez-Franco, MI et al.. Synthesis and in vitro study of nitro- and methoxy-2-phenylbenzofurans as human monoamine oxidase inhibitors. Bioorg Chem. 2021;107 :104616. doi: 10.1016/j.bioorg.2020.104616. PubMed PMID:33444985 .
- Luque, FJ, Camarasa, MJ. HIV-1 Envelope Spike MPER: From a Vaccine Target to a New Druggable Pocket for Novel and Effective Fusion Inhibitors. ChemMedChem. 2021;16 (1):105-107. doi: 10.1002/cmdc.202000411. PubMed PMID:33428329 .
- Algar, S, Martín-Martínez, M, González-Muñiz, R. Evolution in non-peptide α-helix mimetics on the road to effective protein-protein interaction modulators. Eur J Med Chem. 2021;211 :113015. doi: 10.1016/j.ejmech.2020.113015. PubMed PMID:33423841 .
- Reviriego, F, Peña-Cabrera, E, Kokate, SV, Alkorta, I, Elguero, J. A static and dynamic NMR study of 10-hydrazino-BODIPY. Magn Reson Chem. 2021;59 (4):454-464. doi: 10.1002/mrc.5118. PubMed PMID:33217045 .
- Cogliati, S, Herranz, F, Ruiz-Cabello, J, Enríquez, JA. Digitonin concentration is determinant for mitochondrial supercomplexes analysis by BlueNative page. Biochim Biophys Acta Bioenerg. 2021;1862 (1):148332. doi: 10.1016/j.bbabio.2020.148332. PubMed PMID:33129827 .
- López-Tofiño, Y, Vera, G, López-Gómez, L, Girón, R, Nurgali, K, Uranga, JA et al.. Effects of the food additive monosodium glutamate on cisplatin-induced gastrointestinal dysmotility and peripheral neuropathy in the rat. Neurogastroenterol Motil. 2021;33 (4):e14020. doi: 10.1111/nmo.14020. PubMed PMID:33112027 .
- Duarte, P, Cuadrado, A, León, R. Monoamine Oxidase Inhibitors: From Classic to New Clinical Approaches. Handb Exp Pharmacol. 2021;264 :229-259. doi: 10.1007/164_2020_384. PubMed PMID:32852645 .
- Sahakian, L, Filippone, RT, Stavely, R, Robinson, AM, Yan, XS, Abalo, R et al.. Inhibition of APE1/Ref-1 Redox Signaling Alleviates Intestinal Dysfunction and Damage to Myenteric Neurons in a Mouse Model of Spontaneous Chronic Colitis. Inflamm Bowel Dis. 2021;27 (3):388-406. doi: 10.1093/ibd/izaa161. PubMed PMID:32618996 PubMed Central PMC8287929.
Search PubMed
- Marín-Luna, M, Sánchez-Andrada, P, Alkorta, I, Elguero, J, Torralba, MC, Delgado-Martínez, P et al.. A structural analysis of 2,5-diaryl-4H-2,4-dihydro-3H-1,2,4-triazol-3-ones: NMR in the solid state, X-ray crystallography, and GIPAW calculations. Magn Reson Chem. 2021;59 (4):423-438. doi: 10.1002/mrc.5107. PubMed PMID:33464666 .
- Luque, FJ, Camarasa, MJ. HIV-1 Envelope Spike MPER: From a Vaccine Target to a New Druggable Pocket for Novel and Effective Fusion Inhibitors. ChemMedChem. 2021;16 (1):105-107. doi: 10.1002/cmdc.202000411. PubMed PMID:33428329 .
- Algar, S, Martín-Martínez, M, González-Muñiz, R. Evolution in non-peptide α-helix mimetics on the road to effective protein-protein interaction modulators. Eur J Med Chem. 2021;211 :113015. doi: 10.1016/j.ejmech.2020.113015. PubMed PMID:33423841 .
- Iriondo-DeHond, A, Uranga, JA, Del Castillo, MD, Abalo, R. Effects of Coffee and Its Components on the Gastrointestinal Tract and the Brain-Gut Axis. Nutrients. 2020;13 (1):. doi: 10.3390/nu13010088. PubMed PMID:33383958 PubMed Central PMC7824117.
- Alkorta, I, Elguero, J, Oliva-Enrich, JM, Yáñez, M, Mó, O, Montero-Campillo, MM et al.. The Importance of Strain (Preorganization) in Beryllium Bonds. Molecules. 2020;25 (24):. doi: 10.3390/molecules25245876. PubMed PMID:33322617 PubMed Central PMC7763456.
- Reviriego, F, Peña-Cabrera, E, Kokate, SV, Alkorta, I, Elguero, J. A static and dynamic NMR study of 10-hydrazino-BODIPY. Magn Reson Chem. 2021;59 (4):454-464. doi: 10.1002/mrc.5118. PubMed PMID:33217045 .
- Elguero, J, Alkorta, I. A Computational Study of Metallacycles Formed by Pyrazolate Ligands and the Coinage Metals M = Cu(I), Ag(I) and Au(I): (pzM)n for n = 2, 3, 4, 5 and 6. Comparison with Structures Reported in the Cambridge Crystallographic Data Center (CCDC). Molecules. 2020;25 (21):. doi: 10.3390/molecules25215108. PubMed PMID:33153197 PubMed Central PMC7663606.
- Morales, P, Bruix, M, Jiménez, MA. Structural Insights into β-arrestin/CB1 Receptor Interaction: NMR and CD Studies on Model Peptides. Int J Mol Sci. 2020;21 (21):. doi: 10.3390/ijms21218111. PubMed PMID:33143110 PubMed Central PMC7662265.
- Oliva-Enrich, JM, Alkorta, I, Elguero, J. Hybrid Boron-Carbon Chemistry. Molecules. 2020;25 (21):. doi: 10.3390/molecules25215026. PubMed PMID:33138268 PubMed Central PMC7672580.
- Cogliati, S, Herranz, F, Ruiz-Cabello, J, Enríquez, JA. Digitonin concentration is determinant for mitochondrial supercomplexes analysis by BlueNative page. Biochim Biophys Acta Bioenerg. 2021;1862 (1):148332. doi: 10.1016/j.bbabio.2020.148332. PubMed PMID:33129827 .
- Alkorta, I, Elguero, J, Trujillo, C, Sánchez-Sanz, G. Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study. Int J Mol Sci. 2020;21 (21):. doi: 10.3390/ijms21218036. PubMed PMID:33126636 PubMed Central PMC7663457.
- López-Tofiño, Y, Vera, G, López-Gómez, L, Girón, R, Nurgali, K, Uranga, JA et al.. Effects of the food additive monosodium glutamate on cisplatin-induced gastrointestinal dysmotility and peripheral neuropathy in the rat. Neurogastroenterol Motil. 2021;33 (4):e14020. doi: 10.1111/nmo.14020. PubMed PMID:33112027 .
- Núñez Alonso, D, Pérez-Torralba, M, Claramunt, RM, Torralba, MC, Delgado-Martínez, P, Alkorta, I et al.. Regiospecific Synthesis and Structural Studies of 3,5-Dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-ones and Comparison with 1,3-Dihydro-2H-benzo[b][1,4]diazepin-2-ones. ACS Omega. 2020;5 (39):25408-25422. doi: 10.1021/acsomega.0c03843. PubMed PMID:33043221 PubMed Central PMC7542844.
- Uranga, JA, Martínez, V, Abalo, R. Mast Cell Regulation and Irritable Bowel Syndrome: Effects of Food Components with Potential Nutraceutical Use. Molecules. 2020;25 (18):. doi: 10.3390/molecules25184314. PubMed PMID:32962285 PubMed Central PMC7570512.
- Fernández-Carvajal, A, González-Muñiz, R, Fernández-Ballester, G, Ferrer-Montiel, A. Investigational drugs in early phase clinical trials targeting thermotransient receptor potential (thermoTRP) channels. Expert Opin Investig Drugs. 2020;29 (11):1209-1222. doi: 10.1080/13543784.2020.1825680. PubMed PMID:32941080 .
- Morales, P, Lago-Fernandez, A, Hurst, DP, Sotudeh, N, Brailoiu, E, Reggio, PH et al.. Therapeutic Exploitation of GPR18: Beyond the Cannabinoids?. J Med Chem. 2020;63 (23):14216-14227. doi: 10.1021/acs.jmedchem.0c00926. PubMed PMID:32914978 PubMed Central PMC7949482.
- González-Naranjo, P, Pérez, C, Girón, R, Sánchez-Robles, EM, Martín-Fontelles, MI, Carrillo-López, N et al.. New cannabinoid receptor antagonists as pharmacological tool. Bioorg Med Chem. 2020;28 (19):115672. doi: 10.1016/j.bmc.2020.115672. PubMed PMID:32912440 .
- Sánchez-Sanz, G, Trujillo, C, Alkorta, I, Elguero, J. Rivalry between Regium and Hydrogen Bonds Established within Diatomic Coinage Molecules and Lewis Acids/Bases. Chemphyschem. 2020;21 (22):2557-2563. doi: 10.1002/cphc.202000704. PubMed PMID:32893396 .
- de Lucio, H, Toro, MA, Camarasa, MJ, Velázquez, S, Gago, F, Jiménez-Ruiz, A et al.. Pseudoirreversible slow-binding inhibition of trypanothione reductase by a protein-protein interaction disruptor. Br J Pharmacol. 2020;177 (22):5163-5176. doi: 10.1111/bph.15250. PubMed PMID:32888319 PubMed Central PMC7588817.
- Pérez de Vega, MJ, Moreno-Fernández, S, Pontes-Quero, GM, González-Amor, M, Vázquez-Lasa, B, Sabater-Muñoz, B et al.. Characterization of Novel Synthetic Polyphenols: Validation of Antioxidant and Vasculoprotective Activities. Antioxidants (Basel). 2020;9 (9):. doi: 10.3390/antiox9090787. PubMed PMID:32854368 PubMed Central PMC7555119.
- Bonache, MÁ, Martín-Escura, C, de la Torre Martínez, R, Medina, A, González-Rodríguez, S, Francesch, A et al.. Highly functionalized β-lactams and 2-ketopiperazines as TRPM8 antagonists with antiallodynic activity. Sci Rep. 2020;10 (1):14154. doi: 10.1038/s41598-020-70691-x. PubMed PMID:32843690 PubMed Central PMC7447632.
- Marín-Luna, M, Claramunt, RM, Elguero, J, Alkorta, I. Theoretical and Spectroscopic Characterization of API-Related Azoles in Solution and in Solid State. Curr Pharm Des. 2020;26 (38):4847-4857. doi: 10.2174/1381612826666200818212846. PubMed PMID:32811407 .
- Michalska, P, León, R. When It Comes to an End: Oxidative Stress Crosstalk with Protein Aggregation and Neuroinflammation Induce Neurodegeneration. Antioxidants (Basel). 2020;9 (8):. doi: 10.3390/antiox9080740. PubMed PMID:32806679 PubMed Central PMC7463521.
- Alghamdi, AH, Munday, JC, Campagnaro, GD, Gurvic, D, Svensson, F, Okpara, CE et al.. Positively selected modifications in the pore of TbAQP2 allow pentamidine to enter Trypanosoma brucei. Elife. 2020;9 :. doi: 10.7554/eLife.56416. PubMed PMID:32762841 PubMed Central PMC7473772.
- Oliva-Enrich, JM, Kondo, T, Alkorta, I, Elguero, J, Klein, DJ. Diborane Concatenation Leads to New Planar Boron Chemistry. Chemphyschem. 2020;21 (21):2460-2467. doi: 10.1002/cphc.202000554. PubMed PMID:32744767 .
- Rutjes, FPJT, Goya, P. Past, Present and Future of the European Chemical Society (EuChemS). Chemistry. 2020;26 (48):10909-10911. doi: 10.1002/chem.202002925. PubMed PMID:32666551 .
- Alkorta, I, Hill, JG, Legon, AC. An ab initio investigation of alkali-metal non-covalent bonds BLiR and BNaR (R = F, H or CH3) formed with simple Lewis bases B: the relative inductive effects of F, H and CH3. Phys Chem Chem Phys. 2020;22 (28):16421-16430. doi: 10.1039/d0cp02697b. PubMed PMID:32658222 .
- Marín-Luna, M, Claramunt, RM, López, C, Pérez-Torralba, M, Sanz, D, Reviriego, F et al.. A GIPAW versus GIAO-ZORA-SO study of 13C and 15N CPMAS NMR chemical shifts of aromatic and heterocyclic bromo derivatives. Solid State Nucl Magn Reson. 2020;108 :101676. doi: 10.1016/j.ssnmr.2020.101676. PubMed PMID:32640403 .
- Del Bene, JE, Alkorta, I, Elguero, J. Hydrogen bonds and halogen bonds in complexes of carbones L→C←L as electron donors to HF and ClF, for L = CO, N2, HNC, PH3, and SH2. Phys Chem Chem Phys. 2020;22 (28):15966-15975. doi: 10.1039/d0cp02009e. PubMed PMID:32632429 .
- Vos, E, Montero-Campillo, MM, Corral, I, Yáñez, M, Alkorta, I, Elguero, J et al.. From Very Strong to Inexistent Be-Be Bonds in the Interactions of Be2 with π-Systems. Chemphyschem. 2020;21 (24):2701-2708. doi: 10.1002/cphc.202000412. PubMed PMID:32598549 .
- Del Bene, JE, Alkorta, I, Elguero, J. Unusual Complexes of P(CH)3 with FH, ClH, and ClF. Molecules. 2020;25 (12):. doi: 10.3390/molecules25122846. PubMed PMID:32575624 PubMed Central PMC7356268.
- Fueyo-González, F, González-Vera, JA, Alkorta, I, Infantes, L, Jimeno, ML, Aranda, P et al.. Environment-Sensitive Probes for Illuminating Amyloid Aggregation In Vitro and in Zebrafish. ACS Sens. 2020;5 (9):2792-2799. doi: 10.1021/acssensors.0c00587. PubMed PMID:32551591 .
- García-Soriano, D, Amaro, R, Lafuente-Gómez, N, Milán-Rois, P, Somoza, Á, Navío, C et al.. The influence of cation incorporation and leaching in the properties of Mn-doped nanoparticles for biomedical applications. J Colloid Interface Sci. 2020;578 :510-521. doi: 10.1016/j.jcis.2020.06.011. PubMed PMID:32540550 .
- Alkorta, I, Elguero, J, Del Bene, JE, Mó, O, Montero-Campillo, MM, Yáñez, M et al.. Mutual Influence of Pnicogen Bonds and Beryllium Bonds: Energies and Structures in the Spotlight. J Phys Chem A. 2020;124 (28):5871-5878. doi: 10.1021/acs.jpca.0c03689. PubMed PMID:32538087 .
- Fonseca-Berzal, C, da Silva, CF, Batista, DDGJ, de Oliveira, GM, Cumella, J, Batista, MM et al.. Activity profile of two 5-nitroindazole derivatives over the moderately drug-resistant Trypanosoma cruzi Y strain (DTU TcII): in vitro and in vivo studies. Parasitology. 2020;147 (11):1216-1228. doi: 10.1017/S0031182020000955. PubMed PMID:32530391 .
- Alkorta, I, Silva, AF, Popelier, PLA. An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation. Molecules. 2020;25 (11):. doi: 10.3390/molecules25112674. PubMed PMID:32526931 PubMed Central PMC7321288.
- Olivera-Castillo, L, Grant, G, Kantún-Moreno, N, Barrera-Pérez, HA, Montero, J, Olvera-Novoa, MA et al.. A Glycosaminoglycan-Rich Fraction from Sea Cucumber Isostichopus badionotus Has Potent Anti-Inflammatory Properties In Vitro and In Vivo. Nutrients. 2020;12 (6):. doi: 10.3390/nu12061698. PubMed PMID:32517205 PubMed Central PMC7352476.
- Fueyo-González, F, Fernández-Gutiérrez, M, García-Puentes, D, Orte, A, González-Vera, JA, Herranz, R et al.. Naphthalimide-based macrophage nucleus imaging probes. Eur J Med Chem. 2020;200 :112407. doi: 10.1016/j.ejmech.2020.112407. PubMed PMID:32512480 .
- Herrera-Arozamena, C, Estrada-Valencia, M, Martí-Marí, O, Pérez, C, de la Fuente Revenga, M, Villalba-Galea, CA et al.. Optical control of muscular nicotinic channels with azocuroniums, photoswitchable azobenzenes bearing two N-methyl-N-carbocyclic quaternary ammonium groups. Eur J Med Chem. 2020;200 :112403. doi: 10.1016/j.ejmech.2020.112403. PubMed PMID:32447198 .
- Sánchez-Murcia, PA, de Castro, S, García-Aparicio, C, Jiménez, MA, Corona, A, Tramontano, E et al.. Peptides Mimicking the β7/β8 Loop of HIV-1 Reverse Transcriptase p51 as "Hotspot-Targeted" Dimerization Inhibitors. ACS Med Chem Lett. 2020;11 (5):811-817. doi: 10.1021/acsmedchemlett.9b00623. PubMed PMID:32435389 PubMed Central PMC7236230.
- Stavely, R, Abalo, R, Nurgali, K. Targeting Enteric Neurons and Plexitis for the Management of Inflammatory Bowel Disease. Curr Drug Targets. 2020;21 (14):1428-1439. doi: 10.2174/1389450121666200516173242. PubMed PMID:32416686 .
- Alkorta, I, Elguero, J, Oliva-Enrich, JM. Hydrogen vs. Halogen Bonds in 1-Halo-Closo-Carboranes. Materials (Basel). 2020;13 (9):. doi: 10.3390/ma13092163. PubMed PMID:32392865 PubMed Central PMC7254210.
- Martínez, V, Iriondo De-Hond, A, Borrelli, F, Capasso, R, Del Castillo, MD, Abalo, R et al.. Cannabidiol and Other Non-Psychoactive Cannabinoids for Prevention and Treatment of Gastrointestinal Disorders: Useful Nutraceuticals?. Int J Mol Sci. 2020;21 (9):. doi: 10.3390/ijms21093067. PubMed PMID:32357565 PubMed Central PMC7246936.
- Fueyo-González, F, Garcia-Fernandez, E, Martínez, D, Infantes, L, Orte, A, González-Vera, JA et al.. Smart lanthanide antennas for sensing water. Chem Commun (Camb). 2020;56 (41):5484-5487. doi: 10.1039/d0cc01725f. PubMed PMID:32347241 .
- Quiñonero, D, Alkorta, I, Elguero, J. Metastable Dianions and Dications. Chemphyschem. 2020;21 (14):1597-1607. doi: 10.1002/cphc.202000172. PubMed PMID:32314864 .
- Espadinha, M, Viejo, L, Lopes, RMRM, Herrera-Arozamena, C, Molins, E, Dos Santos, DJVA et al.. Identification of tetracyclic lactams as NMDA receptor antagonists with potential application in neurological disorders. Eur J Med Chem. 2020;194 :112242. doi: 10.1016/j.ejmech.2020.112242. PubMed PMID:32248004 .
- Elguero, J, Alkorta, I, Del Bene, JE. Calculated coupling constants 1 J(X-Y) and 1 K(X-Y), and fundamental relationships among the reduced coupling constants for molecules Hm X-YHn , with X, Y ═ 1 H, 7 Li, 9 Be, 11 B, 13 C, 15 N, 17 O, 19 F, 31 P, 33 S, and 35 Cl. Magn Reson Chem. 2020;58 (8):727-732. doi: 10.1002/mrc.5026. PubMed PMID:32247293 .
- de Castro, S, Ginex, T, Vanderlinden, E, Laporte, M, Stevaert, A, Cumella, J et al.. N-benzyl 4,4-disubstituted piperidines as a potent class of influenza H1N1 virus inhibitors showing a novel mechanism of hemagglutinin fusion peptide interaction. Eur J Med Chem. 2020;194 :112223. doi: 10.1016/j.ejmech.2020.112223. PubMed PMID:32220685 .
- Miranda, MO, Duarte, DJR, Alkorta, I. Anion-Anion Complexes Established between Aspartate Dimers. Chemphyschem. 2020;21 (10):1052-1059. doi: 10.1002/cphc.201901200. PubMed PMID:32189438 .
- Martínez, V, Abalo, R. Peripherally acting opioid analgesics and peripherally-induced analgesia. Behav Pharmacol. 2020;31 (2&3):136-158. doi: 10.1097/FBP.0000000000000558. PubMed PMID:32168025 .
- Oliva-Enrich, JM, Alkorta, I, Elguero, J. Complexes Between Adamantane Analogues B4X6 -X = {CH2, NH, O ; SiH2, PH, S} - and Dihydrogen, B4X6:nH2 (n = 1-4). Molecules. 2020;25 (5):. doi: 10.3390/molecules25051042. PubMed PMID:32110922 PubMed Central PMC7179137.
- Azofra, LM, Elguero, J, Alkorta, I. A Conceptual DFT Study of Phosphonate Dimers: Dianions Supported by H-Bonds. J Phys Chem A. 2020;124 (11):2207-2214. doi: 10.1021/acs.jpca.9b10681. PubMed PMID:32091214 .
- Del Bene, JE, Alkorta, I, Elguero, J. Complexes H2 CO:PXH2 and HCO2 H : PXH2 for X=NC, F, Cl, CN, OH, CCH, CH3 , and H: Pnicogen Bonds and Hydrogen Bonds. Chemphyschem. 2020;21 (8):741-748. doi: 10.1002/cphc.202000099. PubMed PMID:32069382 .
- Isawi, IH, Morales, P, Sotudeh, N, Hurst, DP, Lynch, DL, Reggio, PH et al.. GPR6 Structural Insights: Homology Model Construction and Docking Studies. Molecules. 2020;25 (3):. doi: 10.3390/molecules25030725. PubMed PMID:32046081 PubMed Central PMC7037797.
- Herrera-Arozamena, C, Estrada-Valencia, M, Pérez, C, Lagartera, L, Morales-García, JA, Pérez-Castillo, A et al.. Tuning melatonin receptor subtype selectivity in oxadiazolone-based analogues: Discovery of QR2 ligands and NRF2 activators with neurogenic properties. Eur J Med Chem. 2020;190 :112090. doi: 10.1016/j.ejmech.2020.112090. PubMed PMID:32018096 .
- Sánchez-Barrena, MJ, Chaves-Sanjuan, A, Raddatz, N, Mendoza, I, Cortés, Á, Gago, F et al.. Recognition and Activation of the Plant AKT1 Potassium Channel by the Kinase CIPK23. Plant Physiol. 2020;182 (4):2143-2153. doi: 10.1104/pp.19.01084. PubMed PMID:32015077 PubMed Central PMC7140914.
- Alkorta, I, Elguero, J, Dias, HVR, Parasar, D, Martín-Pastor, M. An experimental and computational NMR study of organometallic nine-membered rings: Trinuclear silver(I) complexes of pyrazolate ligands. Magn Reson Chem. 2020;58 (4):319-328. doi: 10.1002/mrc.5002. PubMed PMID:31984555 .
- Mó, O, Montero-Campillo, MM, Yáñez, M, Alkorta, I, Elguero, J. Are Anions of Cyclobutane Beryllium Derivatives Stabilized through Four-Center One-Electron Bonds?. J Phys Chem A. 2020;124 (8):1515-1521. doi: 10.1021/acs.jpca.9b10187. PubMed PMID:31962049 .
- Fikatas, A, Vervaeke, P, Martínez-Gualda, B, Martí-Marí, O, Noppen, S, Meyen, E et al.. Tryptophan Trimers and Tetramers Inhibit Dengue and Zika Virus Replication by Interfering with Viral Attachment Processes. Antimicrob Agents Chemother. 2020;64 (3):. doi: 10.1128/AAC.02130-19. PubMed PMID:31932383 PubMed Central PMC7038274.
- Nuñez-Borque, E, González-Naranjo, P, Bartolomé, F, Alquézar, C, Reinares-Sebastián, A, Pérez, C et al.. Targeting Cannabinoid Receptor Activation and BACE-1 Activity Counteracts TgAPP Mice Memory Impairment and Alzheimer's Disease Lymphoblast Alterations. Mol Neurobiol. 2020;57 (4):1938-1951. doi: 10.1007/s12035-019-01813-4. PubMed PMID:31898159 .
- Valério, GN, Gutiérrez-Merino, C, Nogueira, F, Moura, I, Moura, JJG, Samhan-Arias, AK et al.. Human erythrocytes exposure to juglone leads to an increase of superoxide anion production associated with cytochrome b5 reductase uncoupling. Biochim Biophys Acta Bioenerg. 2020;1861 (2):148134. doi: 10.1016/j.bbabio.2019.148134. PubMed PMID:31825806 .
- Martínez-Gualda, B, Sun, L, Martí-Marí, O, Noppen, S, Abdelnabi, R, Bator, CM et al.. Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors. J Med Chem. 2020;63 (1):349-368. doi: 10.1021/acs.jmedchem.9b01737. PubMed PMID:31809045 .
Search PubMed
- Alkorta, I, Elguero, J, Yáñez, M, Mó, O, Montero-Campillo, MM. Relativistic Effects on NMR Parameters of Halogen-Bonded Complexes. Molecules. 2019;24 (23):. doi: 10.3390/molecules24234399. PubMed PMID:31810199 PubMed Central PMC6930553.
- Martínez-Gualda, B, Sun, L, Martí-Marí, O, Noppen, S, Abdelnabi, R, Bator, CM et al.. Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors. J Med Chem. 2020;63 (1):349-368. doi: 10.1021/acs.jmedchem.9b01737. PubMed PMID:31809045 .
- Cuartas, V, Crespo, MDP, Priego, EM, Persoons, L, Daelemans, D, Camarasa, MJ et al.. Design and Synthesis of New 6-Nitro and 6-Amino-3,3a,4,5-Tetrahydro-2H-Benzo[g]indazole Derivatives: Antiproliferative and Antibacterial Activity. Molecules. 2019;24 (23):. doi: 10.3390/molecules24234236. PubMed PMID:31766444 PubMed Central PMC6930490.
- Del Bene, JE, Alkorta, I, Elguero, J. What Types of Noncovalent Bonds Stabilize Dimers (XCP)2, for X = CN, Cl, F, and H?. J Phys Chem A. 2019;123 (46):10086-10094. doi: 10.1021/acs.jpca.9b08141. PubMed PMID:31710226 .
- Schubert, M, Limbach, HH, Elguero, J. Synthesis of 15 N-labelled 3,5-dimethylpyridine. J Labelled Comp Radiopharm. 2019;62 (14):914-919. doi: 10.1002/jlcr.3807. PubMed PMID:31677176 PubMed Central PMC6973028.
- Herraiz, T, Guillén, H, González-Peña, D, Arán, VJ. Antimalarial Quinoline Drugs Inhibit β-Hematin and Increase Free Hemin Catalyzing Peroxidative Reactions and Inhibition of Cysteine Proteases. Sci Rep. 2019;9 (1):15398. doi: 10.1038/s41598-019-51604-z. PubMed PMID:31659177 PubMed Central PMC6817881.
- Sánchez-Sanz, G, Alkorta, I, Elguero, J, Trujillo, C. Sequestration of CO2 by Phosphatrane Molecules. Chemphyschem. 2019;20 (23):3195-3200. doi: 10.1002/cphc.201900905. PubMed PMID:31584237 .
- Del Bene, JE, Alkorta, I, Elguero, J. N…C and S…S Interactions in Complexes, Molecules, and Transition Structures HN(CH)SX:SCO, for X = F, Cl, NC, CCH, H, and CN. Molecules. 2019;24 (18):. doi: 10.3390/molecules24183232. PubMed PMID:31491953 PubMed Central PMC6767182.
- Fernández-Barahona, I, Gutiérrez, L, Veintemillas-Verdaguer, S, Pellico, J, Morales, MDP, Catala, M et al.. Cu-Doped Extremely Small Iron Oxide Nanoparticles with Large Longitudinal Relaxivity: One-Pot Synthesis and in Vivo Targeted Molecular Imaging. ACS Omega. 2019;4 (2):2719-2727. doi: 10.1021/acsomega.8b03004. PubMed PMID:31459508 PubMed Central PMC6648411.
- Aguado, T, Romero-Revilla, JA, Granados, R, Campuzano, S, Torrente-Rodríguez, RM, Cuesta, ÁM et al.. 11PS04 is a new chemical entity identified by microRNA-based biosensing with promising therapeutic potential against cancer stem cells. Sci Rep. 2019;9 (1):11916. doi: 10.1038/s41598-019-48359-y. PubMed PMID:31417117 PubMed Central PMC6695485.
- Del Bene, JE, Alkorta, I, Elguero, J. Potential Energy Surfaces of HN(CH)SX:CO2 for X = F, Cl, NC, CN, CCH, and H: N···C Tetrel Bonds and O···S Chalcogen Bonds. J Phys Chem A. 2019;123 (33):7270-7277. doi: 10.1021/acs.jpca.9b04144. PubMed PMID:31403796 .
- Alkorta, I, Montero-Campillo, MM, Mó, O, Elguero, J, Yáñez, M. Weak Interactions Get Strong: Synergy between Tetrel and Alkaline-Earth Bonds. J Phys Chem A. 2019;123 (32):7124-7132. doi: 10.1021/acs.jpca.9b06051. PubMed PMID:31339721 .
- Alkorta, I, Elguero, J, Fruchier, A. Theoretical study of some λ5 -phosphinines and their NMR spectra. Magn Reson Chem. 2019;57 (11):975-981. doi: 10.1002/mrc.4926. PubMed PMID:31339596 .
- Alkorta, I, Legon, AC. Systematic behaviour of electron redistribution on formation of halogen-bonded complexes BXY, as determined via XY halogen nuclear quadrupole coupling constants. Phys Chem Chem Phys. 2019;21 (31):16914-16922. doi: 10.1039/c9cp03463c. PubMed PMID:31328751 .
- de Castro, S, Ferrer-Orta, C, Mills, A, Fernández-Cureses, G, Gago, F, Verdaguer, N et al.. (F)uridylylated Peptides Linked to VPg1 of Foot-and- Mouth Disease Virus (FMDV): Design, Synthesis and X-Ray Crystallography of the Complexes with FMDV RNA-Dependent RNA Polymerase. Molecules. 2019;24 (13):. doi: 10.3390/molecules24132360. PubMed PMID:31247979 PubMed Central PMC6651598.
- Ponzoni, I, Sebastián-Pérez, V, Martínez, MJ, Roca, C, De la Cruz Pérez, C, Cravero, F et al.. QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer's Disease. Sci Rep. 2019;9 (1):9102. doi: 10.1038/s41598-019-45522-3. PubMed PMID:31235739 PubMed Central PMC6591229.
- Martínez-Gualda, B, Sun, L, Martí-Marí, O, Mirabelli, C, Delang, L, Neyts, J et al.. Modifications in the branched arms of a class of dual inhibitors of HIV and EV71 replication expand their antiviral spectrum. Antiviral Res. 2019;168 :210-214. doi: 10.1016/j.antiviral.2019.06.006. PubMed PMID:31228490 PubMed Central PMC7114229.
- Pérez-Pérez, MJ, Delang, L, Ng, LFP, Priego, EM. Chikungunya virus drug discovery: still a long way to go?. Expert Opin Drug Discov. 2019;14 (9):855-866. doi: 10.1080/17460441.2019.1629413. PubMed PMID:31177861 .
- Uriarte, I, Reviriego, F, Calabrese, C, Elguero, J, Kisiel, Z, Alkorta, I et al.. Bond Length Alternation Observed Experimentally: The Case of 1H-Indazole. Chemistry. 2019;25 (43):10172-10178. doi: 10.1002/chem.201901666. PubMed PMID:31166628 .
- Mó, O, Montero-Campillo, MM, Alkorta, I, Elguero, J, Yáñez, M. Ternary Complexes Stabilized by Chalcogen and Alkaline-Earth Bonds: Crucial Role of Cooperativity and Secondary Noncovalent Interactions. Chemistry. 2019;25 (50):11688-11695. doi: 10.1002/chem.201901641. PubMed PMID:31157470 .
- Mosińska, P, Martín-Ruiz, M, González, A, López-Miranda, V, Herradón, E, Uranga, JA et al.. Changes in the diet composition of fatty acids and fiber affect the lower gastrointestinal motility but have no impact on cardiovascular parameters: In vivo and in vitro studies. Neurogastroenterol Motil. 2019;31 (9):e13651. doi: 10.1111/nmo.13651. PubMed PMID:31145538 .
- González-Muñiz, R, Bonache, MA, Martín-Escura, C, Gómez-Monterrey, I. Recent Progress in TRPM8 Modulation: An Update. Int J Mol Sci. 2019;20 (11):. doi: 10.3390/ijms20112618. PubMed PMID:31141957 PubMed Central PMC6600640.
- Sousa, JLC, Silva, AMS, Alkorta, I, Elguero, J. Assignment of 1 H and 13 C NMR data for three pairs of diastereomers of 4'-X benzo[1,3]cyclopropa[1,2-b]chromene-4,5-diones (X = H, OCH3 , and Cl). Magn Reson Chem. 2019;57 (8):512-521. doi: 10.1002/mrc.4892. PubMed PMID:31134669 .
- Vera, G, Girón, R, Martín-Fontelles, MI, Abalo, R. Radiographic dose-dependency study of loperamide effects on gastrointestinal motor function in the rat. Temporal relationship with nausea-like behavior. Neurogastroenterol Motil. 2019;31 (8):e13621. doi: 10.1111/nmo.13621. PubMed PMID:31117152 .
- Sotudeh, N, Morales, P, Hurst, DP, Lynch, DL, Reggio, PH. Towards A Molecular Understanding of The Cannabinoid Related Orphan Receptor GPR18: A Focus on Its Constitutive Activity. Int J Mol Sci. 2019;20 (9):. doi: 10.3390/ijms20092300. PubMed PMID:31075933 PubMed Central PMC6539512.
- Sun, L, Lee, H, Thibaut, HJ, Lanko, K, Rivero-Buceta, E, Bator, C et al.. Viral engagement with host receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid. PLoS Pathog. 2019;15 (5):e1007760. doi: 10.1371/journal.ppat.1007760. PubMed PMID:31071193 PubMed Central PMC6590834.
- Venter, J, Perez, C, van Otterlo, WAL, Martínez, A, Blackie, MAL. 1-Aryl-3-(4-methoxybenzyl)ureas as potentially irreversible glycogen synthase kinase 3 inhibitors: Synthesis and biological evaluation. Bioorg Med Chem Lett. 2019;29 (13):1597-1600. doi: 10.1016/j.bmcl.2019.04.049. PubMed PMID:31054862 .
- Del Bene, JE, Alkorta, I, Elguero, J. Can a Cl-H···F Hydrogen Bond Replace a Cl···F Halogen Bond? H2XP:ClY:ZH versus H2XP:ClY:HZ for Y, Z = F, Cl. J Phys Chem A. 2019;123 (18):3992-3999. doi: 10.1021/acs.jpca.9b00553. PubMed PMID:31032609 .
- Quaglio, D, Zhdanovskaya, N, Tobajas, G, Cuartas, V, Balducci, S, Christodoulou, MS et al.. Chalcones and Chalcone-mimetic Derivatives as Notch Inhibitors in a Model of T-cell Acute Lymphoblastic Leukemia. ACS Med Chem Lett. 2019;10 (4):639-643. doi: 10.1021/acsmedchemlett.8b00608. PubMed PMID:30996810 PubMed Central PMC6466818.
- Revuelto, A, Ruiz-Santaquiteria, M, de Lucio, H, Gamo, A, Carriles, AA, Gutiérrez, KJ et al.. Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase. ACS Infect Dis. 2019;5 (6):873-891. doi: 10.1021/acsinfecdis.8b00355. PubMed PMID:30983322 .
- Garcia, MM, Goicoechea, C, Avellanal, M, Traseira, S, Martín, MI, Sánchez-Robles, EM et al.. Comparison of the antinociceptive profiles of morphine and oxycodone in two models of inflammatory and osteoarthritic pain in rat. Eur J Pharmacol. 2019;854 :109-118. doi: 10.1016/j.ejphar.2019.04.011. PubMed PMID:30978319 .
- Sánchez-Sanz, G, Trujillo, C, Alkorta, I, Elguero, J. Understanding Regium Bonds and their Competition with Hydrogen Bonds in Au2 :HX Complexes. Chemphyschem. 2019;20 (12):1572-1580. doi: 10.1002/cphc.201900354. PubMed PMID:30974036 .
- G-Doyagüez, E, Carrero, P, Madrona, A, Rodriguez-Salamanca, P, Martínez-Gualda, B, Camarasa, MJ et al.. Galloyl Carbohydrates with Antiangiogenic Activity Mediated by Capillary Morphogenesis Gene 2 (CMG2) Protein Binding. J Med Chem. 2019;62 (8):3958-3970. doi: 10.1021/acs.jmedchem.8b01988. PubMed PMID:30964669 PubMed Central PMC8859974.
- Martín-Martínez, E, Martín-Martínez, M. Varied Presentation of Myalgic Encephalomyelitis/Chronic Fatigue Syndrome and the Needs for Classification and Clinician Education: A Case Series. Clin Ther. 2019;41 (4):619-624. doi: 10.1016/j.clinthera.2019.02.014. PubMed PMID:30948154 .
- Fernández-Barahona, I, Muñoz-Hernando, M, Herranz, F. Microwave-Driven Synthesis of Iron-Oxide Nanoparticles for Molecular Imaging. Molecules. 2019;24 (7):. doi: 10.3390/molecules24071224. PubMed PMID:30925778 PubMed Central PMC6479367.
- Aledavood, E, Moraes, G, Lameira, J, Castro, A, Luque, FJ, Estarellas, C et al.. Understanding the Mechanism of Direct Activation of AMP-Kinase: Toward a Fine Allosteric Tuning of the Kinase Activity. J Chem Inf Model. 2019;59 (6):2859-2870. doi: 10.1021/acs.jcim.8b00890. PubMed PMID:30924649 .
- Bueno, O, Gargantilla, M, Estévez-Gallego, J, Martins, S, Díaz, JF, Camarasa, MJ et al.. Diphenyl ether derivatives occupy the expanded binding site of cyclohexanedione compounds at the colchicine site in tubulin by movement of the αT5 loop. Eur J Med Chem. 2019;171 :195-208. doi: 10.1016/j.ejmech.2019.03.045. PubMed PMID:30921759 .
- Díaz-Ruano, S, López-Pérez, AE, Girón, R, Pérez-García, I, Martín-Fontelles, MI, Abalo, R et al.. Fluoroscopic Characterization of Colonic Dysmotility Associated to Opioid and Cannabinoid Agonists in Conscious Rats. J Neurogastroenterol Motil. 2019;25 (2):300-315. doi: 10.5056/jnm18202. PubMed PMID:30870877 PubMed Central PMC6474695.
- Clarkson, GJ, Farrán, MÁ, Claramunt, RM, Alkorta, I, Elguero, J. The structure of the anti-aging agent J147 used for treating Alzheimer's disease. Acta Crystallogr C Struct Chem. 2019;75 (Pt 3):271-276. doi: 10.1107/S205322961900144X. PubMed PMID:30833521 .
- Gougoula, E, Medcraft, C, Alkorta, I, Walker, NR, Legon, AC. A chalcogen-bonded complex H3N⋯S=C=S formed by ammonia and carbon disulfide characterised by chirped-pulse, broadband microwave spectroscopy. J Chem Phys. 2019;150 (8):084307. doi: 10.1063/1.5085281. PubMed PMID:30823758 .
- Iribarren, Í, Montero-Campillo, MM, Alkorta, I, Elguero, J, Quiñonero, D. Cations brought together by hydrogen bonds: the protonated pyridine-boronic acid dimer explained. Phys Chem Chem Phys. 2019;21 (10):5796-5802. doi: 10.1039/c8cp07542e. PubMed PMID:30805581 .
- Jiménez, MÁ, González-Muñiz, R. Peptides in biology and biomedicine: Walking towards the future. Arch Biochem Biophys. 2019;665 :20-22. doi: 10.1016/j.abb.2019.02.010. PubMed PMID:30790542 .
- de Andrade, P, Mantoani, SP, Gonçalves Nunes, PS, Magadán, CR, Pérez, C, Xavier, DJ et al.. Highly potent and selective aryl-1,2,3-triazolyl benzylpiperidine inhibitors toward butyrylcholinesterase in Alzheimer's disease. Bioorg Med Chem. 2019;27 (6):931-943. doi: 10.1016/j.bmc.2018.12.030. PubMed PMID:30765302 .
- Silva, VLM, Silva, AMS, Claramunt, RM, Sanz, D, Infantes, L, Martínez-López, Á et al.. An Example of Polynomial Expansion: The Reaction of 3(5)-Methyl-1H-Pyrazole with Chloroform and Characterization of the Four Isomers. Molecules. 2019;24 (3):. doi: 10.3390/molecules24030568. PubMed PMID:30720743 PubMed Central PMC6384863.
- González-Naranjo, P, Pérez-Macias, N, Pérez, C, Roca, C, Vaca, G, Girón, R et al.. Indazolylketones as new multitarget cannabinoid drugs. Eur J Med Chem. 2019;166 :90-107. doi: 10.1016/j.ejmech.2019.01.030. PubMed PMID:30685536 .
- Trujillo, C, Alkorta, I, Elguero, J, Sánchez-Sanz, G. Cooperative Effects in Weak Interactions: Enhancement of Tetrel Bonds by Intramolecular Hydrogen Bonds. Molecules. 2019;24 (2):. doi: 10.3390/molecules24020308. PubMed PMID:30654469 PubMed Central PMC6359400.
- Pellico, J, Fernández-Barahona, I, Benito, M, Gaitán-Simón, Á, Gutiérrez, L, Ruiz-Cabello, J et al.. Unambiguous detection of atherosclerosis using bioorthogonal nanomaterials. Nanomedicine. 2019;17 :26-35. doi: 10.1016/j.nano.2018.12.015. PubMed PMID:30654185 .
- Ferreira-Ramos, AS, Li, C, Eydoux, C, Contreras, JM, Morice, C, Quérat, G et al.. Approved drugs screening against the nsP1 capping enzyme of Venezuelan equine encephalitis virus using an immuno-based assay. Antiviral Res. 2019;163 :59-69. doi: 10.1016/j.antiviral.2019.01.003. PubMed PMID:30639438 .
- Vessally, E, Alkorta, I, Ahmadi, S, Mohammadi, R, Hosseinian, A. A DFT study on nanocones, nanotubes (4,0), nanosheets and fullerene C60 as anodes in Mg-ion batteries. RSC Adv. 2019;9 (2):853-862. doi: 10.1039/c8ra06031b. PubMed PMID:35517631 PubMed Central PMC9059540.
- Marín-Luna, M, Claramunt, RM, Nieto, CI, Alkorta, I, Elguero, J, Reviriego, F et al.. A theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles. Magn Reson Chem. 2019;57 (6):275-284. doi: 10.1002/mrc.4824. PubMed PMID:30604430 .
- Alkorta, I, Mata, I, Molins, E, Espinosa, E. Energetic, Topological and Electric Field Analyses of Cation-Cation Nucleic Acid Interactions in Watson-Crick Disposition. Chemphyschem. 2019;20 (1):148-158. doi: 10.1002/cphc.201800878. PubMed PMID:30412344 .
- Martín-Ruíz, M, Uranga, JA, Mosinska, P, Fichna, J, Nurgali, K, Martín-Fontelles, MI et al.. Alterations of colonic sensitivity and gastric dysmotility after acute cisplatin and granisetron. Neurogastroenterol Motil. 2019;31 (3):e13499. doi: 10.1111/nmo.13499. PubMed PMID:30402956 .
- Sciú, ML, Sebastián-Pérez, V, Martinez-Gonzalez, L, Benitez, R, Perez, DI, Pérez, C et al.. Computer-aided molecular design of pyrazolotriazines targeting glycogen synthase kinase 3. J Enzyme Inhib Med Chem. 2019;34 (1):87-96. doi: 10.1080/14756366.2018.1530223. PubMed PMID:30362380 PubMed Central PMC6211276.
- Páez, JA, Campillo, NE. Innovative Therapeutic Potential of Cannabinoid Receptors as Targets in Alzheimer's Disease and Less Well-Known Diseases. Curr Med Chem. 2019;26 (18):3300-3340. doi: 10.2174/0929867325666180226095132. PubMed PMID:29484980 .
Search PubMed
- Quaglio, D, Zhdanovskaya, N, Tobajas, G, Cuartas, V, Balducci, S, Christodoulou, MS et al.. Chalcones and Chalcone-mimetic Derivatives as Notch Inhibitors in a Model of T-cell Acute Lymphoblastic Leukemia. ACS Med Chem Lett. 2019;10 (4):639-643. doi: 10.1021/acsmedchemlett.8b00608. PubMed PMID:30996810 PubMed Central PMC6466818.
- de Andrade, P, Mantoani, SP, Gonçalves Nunes, PS, Magadán, CR, Pérez, C, Xavier, DJ et al.. Highly potent and selective aryl-1,2,3-triazolyl benzylpiperidine inhibitors toward butyrylcholinesterase in Alzheimer's disease. Bioorg Med Chem. 2019;27 (6):931-943. doi: 10.1016/j.bmc.2018.12.030. PubMed PMID:30765302 .
- Zuñiga, FJ, Cruz-Cabeza, AJ, Aretxabaleta, XM, de la Pinta, N, Breczewski, T, Quesada-Moreno, MM et al.. Conformational aspects of polymorphs and phases of 2-propyl-1H-benzimidazole. IUCrJ. 2018;5 (Pt 6):706-715. doi: 10.1107/S2052252518011685. PubMed PMID:30443355 PubMed Central PMC6211527.
- Alkorta, I, Mata, I, Molins, E, Espinosa, E. Energetic, Topological and Electric Field Analyses of Cation-Cation Nucleic Acid Interactions in Watson-Crick Disposition. Chemphyschem. 2019;20 (1):148-158. doi: 10.1002/cphc.201800878. PubMed PMID:30412344 .
- Martín-Ruíz, M, Uranga, JA, Mosinska, P, Fichna, J, Nurgali, K, Martín-Fontelles, MI et al.. Alterations of colonic sensitivity and gastric dysmotility after acute cisplatin and granisetron. Neurogastroenterol Motil. 2019;31 (3):e13499. doi: 10.1111/nmo.13499. PubMed PMID:30402956 .
- Bonache, MA, Moreno-Fernández, S, Miguel, M, Sabater-Muñoz, B, González-Muñiz, R. Small Library of Triazolyl Polyphenols Correlating Antioxidant Activity and Stability with Number and Position of Hydroxyl Groups. ACS Comb Sci. 2018;20 (12):694-699. doi: 10.1021/acscombsci.8b00118. PubMed PMID:30372022 .
- Pérez de Vega, MJ, Ferrer-Montiel, A, González-Muñiz, R. Recent progress in non-opioid analgesic peptides. Arch Biochem Biophys. 2018;660 :36-52. doi: 10.1016/j.abb.2018.10.011. PubMed PMID:30342013 .
- de Las Rivas, M, Paul Daniel, EJ, Coelho, H, Lira-Navarrete, E, Raich, L, Compañón, I et al.. Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4. ACS Cent Sci. 2018;4 (9):1274-1290. doi: 10.1021/acscentsci.8b00488. PubMed PMID:30276263 PubMed Central PMC6161044.
- Uriarte, I, Insausti, A, Cocinero, EJ, Jabri, A, Kleiner, I, Mouhib, H et al.. Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone. J Phys Chem Lett. 2018;9 (20):5906-5914. doi: 10.1021/acs.jpclett.8b02339. PubMed PMID:30234988 .
- Fonseca-Berzal, C, Arán, VJ, Escario, JA, Gómez-Barrio, A. Experimental models in Chagas disease: a review of the methodologies applied for screening compounds against Trypanosoma cruzi. Parasitol Res. 2018;117 (11):3367-3380. doi: 10.1007/s00436-018-6084-3. PubMed PMID:30232605 .
- Alkorta, I, Legon, AC. An Ab Initio Investigation of the Geometries and Binding Strengths of Tetrel-, Pnictogen-, and Chalcogen-Bonded Complexes of CO₂, N₂O, and CS₂ with Simple Lewis Bases: Some Generalizations. Molecules. 2018;23 (9):. doi: 10.3390/molecules23092250. PubMed PMID:30181450 PubMed Central PMC6225110.
- Camarasa, MJ. Prodrugs of Nucleoside Triphosphates as a Sound and Challenging Approach: A Pioneering Work That Opens a New Era in the Direct Intracellular Delivery of Nucleoside Triphosphates. ChemMedChem. 2018;13 (18):1885-1889. doi: 10.1002/cmdc.201800454. PubMed PMID:30152096 .
- Dardonville, C. Automated techniques in pKa determination: Low, medium and high-throughput screening methods. Drug Discov Today Technol. 2018;27 :49-58. doi: 10.1016/j.ddtec.2018.04.001. PubMed PMID:30103863 .
- Gandini, A, Bartolini, M, Tedesco, D, Martinez-Gonzalez, L, Roca, C, Campillo, NE et al.. Tau-Centric Multitarget Approach for Alzheimer's Disease: Development of First-in-Class Dual Glycogen Synthase Kinase 3β and Tau-Aggregation Inhibitors. J Med Chem. 2018;61 (17):7640-7656. doi: 10.1021/acs.jmedchem.8b00610. PubMed PMID:30078314 .
- Uranga, JA, Vera, G, Abalo, R. Cannabinoid pharmacology and therapy in gut disorders. Biochem Pharmacol. 2018;157 :134-147. doi: 10.1016/j.bcp.2018.07.048. PubMed PMID:30076849 .
- Morales, P, Goya, P, Jagerovic, N. Emerging strategies targeting CB2 cannabinoid receptor: Biased agonism and allosterism. Biochem Pharmacol. 2018;157 :8-17. doi: 10.1016/j.bcp.2018.07.031. PubMed PMID:30055149 .
- Estrada Valencia, M, Herrera-Arozamena, C, de Andrés, L, Pérez, C, Morales-García, JA, Pérez-Castillo, A et al.. Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem. 2018;156 :534-553. doi: 10.1016/j.ejmech.2018.07.026. PubMed PMID:30025348 .
- Silva, VLM, Elguero, J, Silva, AMS. Current progress on antioxidants incorporating the pyrazole core. Eur J Med Chem. 2018;156 :394-429. doi: 10.1016/j.ejmech.2018.07.007. PubMed PMID:30015075 .
- López-Gómez, L, Díaz-Ruano, S, Girón, R, López-Pérez, AE, Vera, G, Herradón Pliego, E et al.. Preclinical evaluation of the effects on the gastrointestinal tract of the antineoplastic drug vincristine repeatedly administered to rats. Neurogastroenterol Motil. 2018;30 (11):e13399. doi: 10.1111/nmo.13399. PubMed PMID:29971865 .
- Montero-Campillo, MM, Alkorta, I, Elguero, J. Enhancement of Thermodynamic Gas-Phase Acidity and Basicity of Water by Means of Secondary Interactions. Chemphyschem. 2018;19 (19):2486-2491. doi: 10.1002/cphc.201800518. PubMed PMID:29944196 .
- Jiménez, A, García, P, de la Puente, S, Madrona, A, Camarasa, MJ, Pérez-Pérez, MJ et al.. A Novel Class of Cationic and Non-Peptidic Small Molecules as Hits for the Development of Antimicrobial Agents. Molecules. 2018;23 (7):. doi: 10.3390/molecules23071513. PubMed PMID:29932141 PubMed Central PMC6099707.
- Albreht, A, Vovk, I, Mavri, J, Marco-Contelles, J, Ramsay, RR. Evidence for a Cyanine Link Between Propargylamine Drugs and Monoamine Oxidase Clarifies the Inactivation Mechanism. Front Chem. 2018;6 :169. doi: 10.3389/fchem.2018.00169. PubMed PMID:29892597 PubMed Central PMC5985292.
- Roca, C, Requena, C, Sebastián-Pérez, V, Malhotra, S, Radoux, C, Pérez, C et al.. Identification of new allosteric sites and modulators of AChE through computational and experimental tools. J Enzyme Inhib Med Chem. 2018;33 (1):1034-1047. doi: 10.1080/14756366.2018.1476502. PubMed PMID:29873262 PubMed Central PMC6010107.
- Figueiro-Silva, J, Antequera, D, Pascual, C, de la Fuente Revenga, M, Volt, H, Acuña-Castroviejo, D et al.. The Melatonin Analog IQM316 May Induce Adult Hippocampal Neurogenesis and Preserve Recognition Memories in Mice. Cell Transplant. 2018;27 (3):423-437. doi: 10.1177/0963689717721217. PubMed PMID:29873251 PubMed Central PMC6038050.
- Gómez de Cedrón, M, Vargas, T, Madrona, A, Jiménez, A, Pérez-Pérez, MJ, Quintela, JC et al.. Novel Polyphenols That Inhibit Colon Cancer Cell Growth Affecting Cancer Cell Metabolism. J Pharmacol Exp Ther. 2018;366 (2):377-389. doi: 10.1124/jpet.118.248278. PubMed PMID:29871992 .
- Alkorta, I, Montero-Campillo, MM, Elguero, J, Yáñez, M, Mó, O. Complexes between neutral oxyacid beryllium salts and dihydrogen: a possible way for hydrogen storage?. Dalton Trans. 2018;47 (36):12516-12520. doi: 10.1039/c8dt01679h. PubMed PMID:29868671 .
- Herrera, JL, Ordoñez-Gutierrez, L, Fabrias, G, Casas, J, Morales, A, Hernandez, G et al.. Ovarian Function Modulates the Effects of Long-Chain Polyunsaturated Fatty Acids on the Mouse Cerebral Cortex. Front Cell Neurosci. 2018;12 :103. doi: 10.3389/fncel.2018.00103. PubMed PMID:29740285 PubMed Central PMC5928148.
- Del Cerro, P, Alquézar, C, Bartolomé, F, González-Naranjo, P, Pérez, C, Carro, E et al.. Activation of the Cannabinoid Type 2 Receptor by a Novel Indazole Derivative Normalizes the Survival Pattern of Lymphoblasts from Patients with Late-Onset Alzheimer's Disease. CNS Drugs. 2018;32 (6):579-591. doi: 10.1007/s40263-018-0515-7. PubMed PMID:29736745 .
- Montero-Campillo, MM, Mó, O, Yáñez, M, Alkorta, I, Elguero, J. Be- and Mg-Based Electron and Anion Sponges. Chemphyschem. 2018;19 (14):1701-1706. doi: 10.1002/cphc.201800292. PubMed PMID:29683556 .
- Alkorta, I, Elguero, J, Del Bene, JE. Complexes of O=C=S with Nitrogen Bases: Chalcogen Bonds, Tetrel Bonds, and Other Secondary Interactions. Chemphyschem. 2018; :. doi: 10.1002/cphc.201800217. PubMed PMID:29663617 .
- Del Bene, JE, Elguero, J, Alkorta, I. Complexes of CO₂ with the Azoles: Tetrel Bonds, Hydrogen Bonds and Other Secondary Interactions. Molecules. 2018;23 (4):. doi: 10.3390/molecules23040906. PubMed PMID:29662005 PubMed Central PMC6017967.
- Fonseca-Berzal, C, Ibáñez-Escribano, A, Vela, N, Cumella, J, Nogal-Ruiz, JJ, Escario, JA et al.. Antichagasic, Leishmanicidal, and Trichomonacidal Activity of 2-Benzyl-5-nitroindazole-Derived Amines. ChemMedChem. 2018;13 (12):1246-1259. doi: 10.1002/cmdc.201800084. PubMed PMID:29624912 .
- Nurgali, K, Jagoe, RT, Abalo, R. Editorial: Adverse Effects of Cancer Chemotherapy: Anything New to Improve Tolerance and Reduce Sequelae?. Front Pharmacol. 2018;9 :245. doi: 10.3389/fphar.2018.00245. PubMed PMID:29623040 PubMed Central PMC5874321.
- Farrán, MÁ, Bonet, MÁ, Claramunt, RM, Torralba, MC, Alkorta, I, Elguero, J et al.. The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease. Acta Crystallogr C Struct Chem. 2018;74 (Pt 4):513-522. doi: 10.1107/S2053229618004394. PubMed PMID:29620036 .
- Meneses-Marcel, A, Marrero-Ponce, Y, Ibáñez-Escribano, A, Gómez-Barrio, A, Escario, JA, Barigye, SJ et al.. Drug repositioning for novel antitrichomonas from known antiprotozoan drugs using hierarchical screening. Future Med Chem. 2018;10 (8):863-878. doi: 10.4155/fmc-2016-0211. PubMed PMID:29589477 .
- Ebiloma, GU, Ayuga, TD, Balogun, EO, Gil, LA, Donachie, A, Kaiser, M et al.. Inhibition of trypanosome alternative oxidase without its N-terminal mitochondrial targeting signal (ΔMTS-TAO) by cationic and non-cationic 4-hydroxybenzoate and 4-alkoxybenzaldehyde derivatives active against T. brucei and T. congolense. Eur J Med Chem. 2018;150 :385-402. doi: 10.1016/j.ejmech.2018.02.075. PubMed PMID:29544150 .
- Montero-Campillo, MM, Alkorta, I, Elguero, J. Fostering the Basic Instinct of Boron in Boron-Beryllium Interactions. J Phys Chem A. 2018;122 (12):3313-3319. doi: 10.1021/acs.jpca.8b01551. PubMed PMID:29537845 .
- Benek, O, Hroch, L, Aitken, L, Gunn-Moore, F, Vinklarova, L, Kuca, K et al.. 1-(Benzo[d]thiazol-2-yl)-3-phenylureas as dual inhibitors of casein kinase 1 and ABAD enzymes for treatment of neurodegenerative disorders. J Enzyme Inhib Med Chem. 2018;33 (1):665-670. doi: 10.1080/14756366.2018.1445736. PubMed PMID:29536773 PubMed Central PMC6009902.
- Bort, A, Quesada, S, Ramos-Torres, Á, Gargantilla, M, Priego, EM, Raynal, S et al.. Identification of a novel 2-oxindole fluorinated derivative as in vivo antitumor agent for prostate cancer acting via AMPK activation. Sci Rep. 2018;8 (1):4370. doi: 10.1038/s41598-018-22690-2. PubMed PMID:29531259 PubMed Central PMC5847527.
- de Castro, S, Camarasa, MJ. Polypharmacology in HIV inhibition: can a drug with simultaneous action against two relevant targets be an alternative to combination therapy?. Eur J Med Chem. 2018;150 :206-227. doi: 10.1016/j.ejmech.2018.03.007. PubMed PMID:29529501 .
- Bueno, O, Estévez Gallego, J, Martins, S, Prota, AE, Gago, F, Gómez-SanJuan, A et al.. High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design. Sci Rep. 2018;8 (1):4242. doi: 10.1038/s41598-018-22382-x. PubMed PMID:29523799 PubMed Central PMC5844890.
- Mosinska, P, Abalo, R. Young GI angle: Boosting your career development with fellowship experience. United European Gastroenterol J. 2018;6 (2):331-332. doi: 10.1177/2050640618760408. PubMed PMID:29511563 PubMed Central PMC5833234.
- Ruiz-Santaquiteria, M, de Castro, S, Toro, MA, de Lucio, H, Gutiérrez, KJ, Sánchez-Murcia, PA et al.. Trypanothione reductase inhibition and anti-leishmanial activity of all-hydrocarbon stapled α-helical peptides with improved proteolytic stability. Eur J Med Chem. 2018;149 :238-247. doi: 10.1016/j.ejmech.2018.02.071. PubMed PMID:29501944 .
- Del Bene, JE, Alkorta, I, Elguero, J. Hydrogen and Halogen Bonding in Cyclic FH(4- n):FCl n Complexes, for n = 0-4. J Phys Chem A. 2018;122 (9):2587-2597. doi: 10.1021/acs.jpca.8b00236. PubMed PMID:29485863 .
- Bueno, O, Tobajas, G, Quesada, E, Estévez-Gallego, J, Noppen, S, Camarasa, MJ et al.. Conformational mimetics of the α-methyl chalcone TUB091 binding tubulin: Design, synthesis and antiproliferative activity. Eur J Med Chem. 2018;148 :337-348. doi: 10.1016/j.ejmech.2018.02.019. PubMed PMID:29471122 .
- Trujillo, C, Goya, P, Rozas, I. Study of Meldrum's Acid Cyclization Reactions. J Phys Chem A. 2018;122 (9):2535-2541. doi: 10.1021/acs.jpca.7b11818. PubMed PMID:29465244 .
- Gómez-SanJuan, A, Gamo, AM, Delang, L, Pérez-Sánchez, A, Amrun, SN, Abdelnabi, R et al.. Inhibition of the Replication of Different Strains of Chikungunya Virus by 3-Aryl-[1,2,3]triazolo[4,5- d]pyrimidin-7(6 H)-ones. ACS Infect Dis. 2018;4 (4):605-619. doi: 10.1021/acsinfecdis.7b00219. PubMed PMID:29406692 .
- Alkorta, I, Montero-Campillo, MM, Elguero, J, Yáñez, M, Mó, O. Trapping One Electron between Three Beryllium Atoms: Very Strong One-Electron Three-Center Bonds. Chemphyschem. 2018;19 (9):1068-1074. doi: 10.1002/cphc.201701240. PubMed PMID:29377547 .
- Ma, YT, Yang, Y, Cai, P, Sun, DY, Sánchez-Murcia, PA, Zhang, XY et al.. A Series of Enthalpically Optimized Docetaxel Analogues Exhibiting Enhanced Antitumor Activity and Water Solubility. J Nat Prod. 2018;81 (3):524-533. doi: 10.1021/acs.jnatprod.7b00857. PubMed PMID:29359935 .
- Siverio-Mota, D, Andujar, I, Marrero-Ponce, Y, Giner, RM, Diaz-Mendoza, C, Paba, GM et al.. Anti-Inflammatory Activity and Cheminformatics Analysis of New Poten t 2-Substituted 1-Methyl-5-Nitroindazolinones. Curr Top Med Chem. 2018;17 (30):3236-3248. doi: 10.2174/1568026618666180119125255. PubMed PMID:29357800 .
- Chierrito, TPC, Pedersoli-Mantoani, S, Roca, C, Sebastian-Pérez, V, Martínez-Gonzalez, L, Pérez, DI et al.. Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem. 2018;145 :431-444. doi: 10.1016/j.ejmech.2018.01.007. PubMed PMID:29335209 .
- Alkorta, I, Martín-Fernández, C, Montero-Campillo, MM, Elguero, J. Hydrogen-Bonding Acceptor Character of Be3, the Beryllium Three-Membered Ring. J Phys Chem A. 2018;122 (5):1472-1478. doi: 10.1021/acs.jpca.7b11952. PubMed PMID:29320188 .
- Montero-Campillo, MM, Sanz, P, Mó, O, Yáñez, M, Alkorta, I, Elguero, J et al.. Alkaline-earth (Be, Mg and Ca) bonds at the origin of huge acidity enhancements. Phys Chem Chem Phys. 2018;20 (4):2413-2420. doi: 10.1039/c7cp07891a. PubMed PMID:29308808 .
- Uranga, JA, Castro, M, Abalo, R. Guanylate Cyclase C: A Current Hot Target, from Physiology to Pathology. Curr Med Chem. 2018;25 (16):1879-1908. doi: 10.2174/0929867325666171205150310. PubMed PMID:29210639 .
- Balsera, B, Mulet, J, Sala, S, Sala, F, de la Torre-Martínez, R, González-Rodríguez, S et al.. Amino acid and peptide prodrugs of diphenylpropanones positive allosteric modulators of α7 nicotinic receptors with analgesic activity. Eur J Med Chem. 2018;143 :157-165. doi: 10.1016/j.ejmech.2017.10.083. PubMed PMID:29174812 .
- Martín-Fernández, C, Montero-Campillo, MM, Alkorta, I, Yáñez, M, Mó, O, Elguero, J et al.. Large Proton-Affinity Enhancements Triggered by Noncovalent Interactions. Chemistry. 2018;24 (8):1971-1977. doi: 10.1002/chem.201705047. PubMed PMID:29144560 .
- Alkorta, I, Thacker, JCR, Popelier, PLA. An interacting quantum atom study of model SN 2 reactions (X- ···CH3 X, X = F, Cl, Br, and I). J Comput Chem. 2018;39 (10):546-556. doi: 10.1002/jcc.25098. PubMed PMID:29125196 PubMed Central PMC5836863.
- Marín-Luna, M, Alkorta, I, Elguero, J. A theoretical NMR study of selected benzazoles: Comparison of GIPAW and GIAO-PCM (DMSO) calculations. Magn Reson Chem. 2018;56 (3):164-171. doi: 10.1002/mrc.4674. PubMed PMID:29077221 .
Search PubMed
- Alkorta, I, Silva, AF, Popelier, PLA. An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation. Molecules. 2020;25 (11):. doi: 10.3390/molecules25112674. PubMed PMID:32526931 PubMed Central PMC7321288.
- Moreno, C, Oliveras, A, Bartolucci, C, Muñoz, C, de la Cruz, A, Peraza, DA et al.. Corrigendum to Supplemental Material: 'D242N, a KV7.1 LQTS mutation uncovers a key residue for IKs voltage dependence' [Journal of Molecular and Cellular Cardiology, Volume 110, September 2017, Pages 61-69]. J Mol Cell Cardiol. 2019;128 :25. doi: 10.1016/j.yjmcc.2019.01.014. PubMed PMID:30682566 .
- Silva, VLM, Elguero, J, Silva, AMS. Current progress on antioxidants incorporating the pyrazole core. Eur J Med Chem. 2018;156 :394-429. doi: 10.1016/j.ejmech.2018.07.007. PubMed PMID:30015075 .
- Brea, O, Mó, O, Yáñez, M, Montero-Campillo, MM, Alkorta, I, Elguero, J et al.. Are beryllium-containing biphenyl derivatives efficient anion sponges?. J Mol Model. 2017;24 (1):16. doi: 10.1007/s00894-017-3551-1. PubMed PMID:29256024 .
- Balsera, B, Mulet, J, Sala, S, Sala, F, de la Torre-Martínez, R, González-Rodríguez, S et al.. Amino acid and peptide prodrugs of diphenylpropanones positive allosteric modulators of α7 nicotinic receptors with analgesic activity. Eur J Med Chem. 2018;143 :157-165. doi: 10.1016/j.ejmech.2017.10.083. PubMed PMID:29174812 .
- García-Pérez, D, López, C, Claramunt, RM, Alkorta, I, Elguero, J. 19F-NMR Diastereotopic Signals in Two N-CHF₂ Derivatives of (4S,7R)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-2H-indazole. Molecules. 2017;22 (11):. doi: 10.3390/molecules22112003. PubMed PMID:29149081 PubMed Central PMC6150283.
- Balsera, B, Bonache, MÁ, Reille-Seroussi, M, Gagey-Eilstein, N, Vidal, M, González-Muñiz, R et al.. Disrupting VEGF-VEGFR1 Interaction: De Novo Designed Linear Helical Peptides to Mimic the VEGF13-25 Fragment. Molecules. 2017;22 (11):. doi: 10.3390/molecules22111846. PubMed PMID:29143774 PubMed Central PMC6150346.
- Del Bene, JE, Alkorta, I, Elguero, J. Halogen Bonding Involving CO and CS with Carbon as the Electron Donor. Molecules. 2017;22 (11):. doi: 10.3390/molecules22111955. PubMed PMID:29137153 PubMed Central PMC6150174.
- Alkorta, I, Thacker, JCR, Popelier, PLA. An interacting quantum atom study of model SN 2 reactions (X- ···CH3 X, X = F, Cl, Br, and I). J Comput Chem. 2018;39 (10):546-556. doi: 10.1002/jcc.25098. PubMed PMID:29125196 PubMed Central PMC5836863.
- Marín-Luna, M, Alkorta, I, Elguero, J. A theoretical NMR study of selected benzazoles: Comparison of GIPAW and GIAO-PCM (DMSO) calculations. Magn Reson Chem. 2018;56 (3):164-171. doi: 10.1002/mrc.4674. PubMed PMID:29077221 .
- Alkorta, I, Legon, AC. Nucleophilicities of Lewis Bases B and Electrophilicities of Lewis Acids A Determined from the Dissociation Energies of Complexes B⋯A Involving Hydrogen Bonds, Tetrel Bonds, Pnictogen Bonds, Chalcogen Bonds and Halogen Bonds. Molecules. 2017;22 (10):. doi: 10.3390/molecules22101786. PubMed PMID:29065546 PubMed Central PMC6151704.
- Del Bene, JE, Alkorta, I, Elguero, J. Carbon-Carbon Bonding between Nitrogen Heterocyclic Carbenes and CO2. J Phys Chem A. 2017;121 (42):8136-8146. doi: 10.1021/acs.jpca.7b08393. PubMed PMID:29035527 .
- Uliassi, E, Fiorani, G, Krauth-Siegel, RL, Bergamini, C, Fato, R, Bianchini, G et al.. Crassiflorone derivatives that inhibit Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (TbGAPDH) and Trypanosoma cruzi trypanothione reductase (TcTR) and display trypanocidal activity. Eur J Med Chem. 2017;141 :138-148. doi: 10.1016/j.ejmech.2017.10.005. PubMed PMID:29031061 .
- de Lucio, H, Gamo, AM, Ruiz-Santaquiteria, M, de Castro, S, Sánchez-Murcia, PA, Toro, MA et al.. Improved proteolytic stability and potent activity against Leishmania infantum trypanothione reductase of α/β-peptide foldamers conjugated to cell-penetrating peptides. Eur J Med Chem. 2017;140 :615-623. doi: 10.1016/j.ejmech.2017.09.032. PubMed PMID:29017116 .
- Chalanchi, SM, Alkorta, I, Elguero, J, Quiñonero, D. Hydrogen Bond versus Halogen Bond in Cation-Cation Complexes: Effect of the Solvent. Chemphyschem. 2017;18 (23):3462-3468. doi: 10.1002/cphc.201700819. PubMed PMID:28881408 .
- Martín-Fernández, C, Montero-Campillo, MM, Alkorta, I, Elguero, J. Modulating the Proton Affinity of Silanol and Siloxane Derivatives by Tetrel Bonds. J Phys Chem A. 2017;121 (39):7424-7431. doi: 10.1021/acs.jpca.7b07886. PubMed PMID:28880555 .
- García, AM, Brea, J, González-García, A, Pérez, C, Cadavid, MI, Loza, MI et al.. Targeting PDE10A GAF Domain with Small Molecules: A Way for Allosteric Modulation with Anti-Inflammatory Effects. Molecules. 2017;22 (9):. doi: 10.3390/molecules22091472. PubMed PMID:28869560 PubMed Central PMC6151459.
- Chierrito, TPC, Pedersoli-Mantoani, S, Roca, C, Requena, C, Sebastian-Perez, V, Castillo, WO et al.. From dual binding site acetylcholinesterase inhibitors to allosteric modulators: A new avenue for disease-modifying drugs in Alzheimer's disease. Eur J Med Chem. 2017;139 :773-791. doi: 10.1016/j.ejmech.2017.08.051. PubMed PMID:28863358 .
- Bautista-Aguilera, ÓM, Hagenow, S, Palomino-Antolin, A, Farré-Alins, V, Ismaili, L, Joffrin, PL et al.. Multitarget-Directed Ligands Combining Cholinesterase and Monoamine Oxidase Inhibition with Histamine H3 R Antagonism for Neurodegenerative Diseases. Angew Chem Int Ed Engl. 2017;56 (41):12765-12769. doi: 10.1002/anie.201706072. PubMed PMID:28861918 .
- Buralli, GJ, Duarte, DJR, Peruchena, NM, Alkorta, I. Simultaneous Occurrence of Quadruple Lewis Acid-Base Interactions between Selenium Atoms in Selenocarbonyl Dimers. Chemphyschem. 2017;18 (23):3498-3503. doi: 10.1002/cphc.201700682. PubMed PMID:28851102 .
- Montero-Campillo, MM, Corral, I, Mó, O, Yáñez, M, Alkorta, I, Elguero, J et al.. Beryllium-based fluorenes as efficient anion sponges. Phys Chem Chem Phys. 2017;19 (34):23052-23059. doi: 10.1039/c7cp03664g. PubMed PMID:28817150 .
- Veitía, MS, Mota, DS, Lerari, V, Marín, M, Giner, RM, Muro, LV et al.. Fishing Anti-Inflammatories from Known Drugs: In Silico Repurposing, Design, Synthesis and Biological Evaluation of Bisacodyl Analogues. Curr Top Med Chem. 2017; :. doi: 10.2174/1568026617666170817161953. PubMed PMID:28816107 .
- Lago-Fernandez, A, Redondo, V, Hernandez-Folgado, L, Figuerola-Asencio, L, Jagerovic, N. New Methods for the Synthesis of Cannabidiol Derivatives. Methods Enzymol. 2017;593 :237-257. doi: 10.1016/bs.mie.2017.05.006. PubMed PMID:28750806 .
- Moreno, C, Oliveras, A, Bartolucci, C, Muñoz, C, de la Cruz, A, Peraza, DA et al.. D242N, a KV7.1 LQTS mutation uncovers a key residue for IKs voltage dependence. J Mol Cell Cardiol. 2017;110 :61-69. doi: 10.1016/j.yjmcc.2017.07.009. PubMed PMID:28739325 .
- Montero-Campillo, MM, Alkorta, I, Elguero, J. Activation of Dinitrogen as A Dipolarophile in 1,3-Dipolar Cycloadditions: A Theoretical Study Using Nitrile Imines as "Octet" 1,3-Dipoles. Sci Rep. 2017;7 (1):6115. doi: 10.1038/s41598-017-05708-z. PubMed PMID:28733626 PubMed Central PMC5522451.
- Morales-García, JA, de la Fuente Revenga, M, Alonso-Gil, S, Rodríguez-Franco, MI, Feilding, A, Perez-Castillo, A et al.. The alkaloids of Banisteriopsis caapi, the plant source of the Amazonian hallucinogen Ayahuasca, stimulate adult neurogenesis in vitro. Sci Rep. 2017;7 (1):5309. doi: 10.1038/s41598-017-05407-9. PubMed PMID:28706205 PubMed Central PMC5509699.
- Quesada-Moreno, MM, Cruz-Cabeza, AJ, Avilés-Moreno, JR, Cabildo, P, Claramunt, RM, Alkorta, I et al.. The Curious Case of 2-Propyl-1H-benzimidazole in the Solid State: An Experimental and Theoretical Study. J Phys Chem A. 2017;121 (30):5665-5674. doi: 10.1021/acs.jpca.7b05220. PubMed PMID:28700240 .
- Gigante, A, Gómez-SanJuan, A, Delang, L, Li, C, Bueno, O, Gamo, AM et al.. Antiviral activity of [1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-ones against chikungunya virus targeting the viral capping nsP1. Antiviral Res. 2017;144 :216-222. doi: 10.1016/j.antiviral.2017.06.003. PubMed PMID:28619679 .
- Palomo, V, Perez, DI, Roca, C, Anderson, C, Rodríguez-Muela, N, Perez, C et al.. Subtly Modulating Glycogen Synthase Kinase 3 β: Allosteric Inhibitor Development and Their Potential for the Treatment of Chronic Diseases. J Med Chem. 2017;60 (12):4983-5001. doi: 10.1021/acs.jmedchem.7b00395. PubMed PMID:28548834 .
- Ponzoni, I, Sebastián-Pérez, V, Requena-Triguero, C, Roca, C, Martínez, MJ, Cravero, F et al.. Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery. Sci Rep. 2017;7 (1):2403. doi: 10.1038/s41598-017-02114-3. PubMed PMID:28546583 PubMed Central PMC5445096.
- Nieto, CI, Claramunt, RM, Torralba, MC, Torres, MR, Elguero, J. Crystal structure of (1Z,4Z)-2,4-dimethyl-3H-benzo[b][1,4]diazepine. Acta Crystallogr E Crystallogr Commun. 2017;73 (Pt 5):647-650. doi: 10.1107/S2056989017004972. PubMed PMID:28529767 PubMed Central PMC5418775.
- Del Bene, JE, Alkorta, I, Elguero, J. Carbenes as Electron-Pair Donors To CO2 for C···C Tetrel Bonds and C-C Covalent Bonds. J Phys Chem A. 2017;121 (20):4039-4047. doi: 10.1021/acs.jpca.7b03405. PubMed PMID:28510435 .
- Alkorta, I, Montero-Campillo, MM, Elguero, J. Trapping CO2 by Adduct Formation with Nitrogen Heterocyclic Carbenes (NHCs): A Theoretical Study. Chemistry. 2017;23 (44):10604-10609. doi: 10.1002/chem.201701444. PubMed PMID:28509430 .
- Guerra, A, Gonzalez-Naranjo, P, Campillo, NE, Varela, J, Lavaggi, ML, Merlino, A et al.. Novel Imidazo[4,5-c][1,2,6]thiadiazine 2,2-dioxides as antiproliferative trypanosoma cruzi drugs: Computational screening from neural network, synthesis and in vivo biological properties. Eur J Med Chem. 2017;136 :223-234. doi: 10.1016/j.ejmech.2017.04.075. PubMed PMID:28499168 .
- Ruiz-Santaquiteria, M, Sánchez-Murcia, PA, Toro, MA, de Lucio, H, Gutiérrez, KJ, de Castro, S et al.. First example of peptides targeting the dimer interface of Leishmania infantum trypanothione reductase with potent in vitro antileishmanial activity. Eur J Med Chem. 2017;135 :49-59. doi: 10.1016/j.ejmech.2017.04.020. PubMed PMID:28431354 .
- Del Bene, JE, Alkorta, I, Elguero, J. Carbenes as Electron-Pair Donors for P⋅⋅⋅C Pnicogen Bonds. Chemphyschem. 2017;18 (12):1597-1610. doi: 10.1002/cphc.201700187. PubMed PMID:28346735 .
- Ramírez, I, Pantrigo, JJ, Montemayor, AS, López-Pérez, AE, Martín-Fontelles, MI, Brookes, SJH et al.. Computer vision-based diameter maps to study fluoroscopic recordings of small intestinal motility from conscious experimental animals. Neurogastroenterol Motil. 2017;29 (8):. doi: 10.1111/nmo.13052. PubMed PMID:28300332 .
- Herraiz, T, Guillén, H, Arán, VJ, Salgado, A. Identification, occurrence and activity of quinazoline alkaloids in Peganum harmala. Food Chem Toxicol. 2017;103 :261-269. doi: 10.1016/j.fct.2017.03.010. PubMed PMID:28279698 .
- Uranga, JA, García-Martínez, JM, García-Jiménez, C, Vera, G, Martín-Fontelles, MI, Abalo, R et al.. Alterations in the small intestinal wall and motor function after repeated cisplatin in rat. Neurogastroenterol Motil. 2017;29 (7):. doi: 10.1111/nmo.13047. PubMed PMID:28261911 .
- Monjas, L, Arce, MP, León, R, Egea, J, Pérez, C, Villarroya, M et al.. Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem. 2017;130 :60-72. doi: 10.1016/j.ejmech.2017.02.034. PubMed PMID:28242552 .
- Espadinha, M, Dourado, J, Lajarin-Cuesta, R, Herrera-Arozamena, C, Gonçalves, LM, Rodríguez-Franco, MI et al.. Optimization of Bicyclic Lactam Derivatives as NMDA Receptor Antagonists. ChemMedChem. 2017;12 (7):537-545. doi: 10.1002/cmdc.201700037. PubMed PMID:28218498 .
- Sánchez-Sanz, G, Alkorta, I, Elguero, J. Theoretical Study of Intramolecular Interactions in Peri-Substituted Naphthalenes: Chalcogen and Hydrogen Bonds. Molecules. 2017;22 (2):. doi: 10.3390/molecules22020227. PubMed PMID:28157170 PubMed Central PMC6155622.
- Del Bene, JE, Alkorta, I, Elguero, J, Sánchez-Sanz, G. Lone-Pair Hole on P: P···N Pnicogen Bonds Assisted by Halogen Bonds. J Phys Chem A. 2017;121 (6):1362-1370. doi: 10.1021/acs.jpca.6b12553. PubMed PMID:28156104 .
- Mansilla, A, Chaves-Sanjuan, A, Campillo, NE, Semelidou, O, Martínez-González, L, Infantes, L et al.. Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome. Proc Natl Acad Sci U S A. 2017;114 (6):E999-E1008. doi: 10.1073/pnas.1611089114. PubMed PMID:28119500 PubMed Central PMC5307446.
- Ragusa, G, Gómez-Cañas, M, Morales, P, Rodríguez-Cueto, C, Pazos, MR, Asproni, B et al.. New pyridazinone-4-carboxamides as new cannabinoid receptor type-2 inverse agonists: Synthesis, pharmacological data and molecular docking. Eur J Med Chem. 2017;127 :398-412. doi: 10.1016/j.ejmech.2017.01.002. PubMed PMID:28088085 .
- Adeyemi, OS, Molina, MT, Eseola, AO, Fonseca-Berzal, C, Gómez-Barrio, A. New Imidazole-Based Compounds Active Against Trypanosoma cruzi. Comb Chem High Throughput Screen. 2017;20 (1):20-24. doi: 10.2174/1386207320666170110141907. PubMed PMID:28071587 .
- Martín-Martínez, M, Pérez-Gordillo, FL, Álvarez de la Rosa, D, Rodríguez, Y, Gerona-Navarro, G, González-Muñiz, R et al.. Modulating Mineralocorticoid Receptor with Non-steroidal Antagonists. New Opportunities for the Development of Potent and Selective Ligands without Off-Target Side Effects. J Med Chem. 2017;60 (7):2629-2650. doi: 10.1021/acs.jmedchem.6b01065. PubMed PMID:28051871 .
- Martínez-Gualda, B, Sun, L, Rivero-Buceta, E, Flores, A, Quesada, E, Balzarini, J et al.. Structure-activity relationship studies on a Trp dendrimer with dual activities against HIV and enterovirus A71. Modifications on the amino acid. Antiviral Res. 2017;139 :32-40. doi: 10.1016/j.antiviral.2016.12.010. PubMed PMID:28017762 .
- Pérez-Domper, P, Palomo, V, Gradari, S, Gil, C, de Ceballos, ML, Martínez, A et al.. The GSK-3-inhibitor VP2.51 produces antidepressant effects associated with adult hippocampal neurogenesis. Neuropharmacology. 2017;116 :174-187. doi: 10.1016/j.neuropharm.2016.12.019. PubMed PMID:28012947 .
- Quesada-Moreno, MM, Avilés-Moreno, JR, López-González, JJ, Jacob, K, Vendier, L, Etienne, M et al.. Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies. Phys Chem Chem Phys. 2017;19 (2):1632-1643. doi: 10.1039/c6cp04940k. PubMed PMID:27995257 .
- Martínez-Haya, B, Avilés-Moreno, JR, Hamad, S, Elguero, J. On the ionophoric selectivity of nonactin and related macrotetrolide derivatives. Phys Chem Chem Phys. 2017;19 (2):1288-1297. doi: 10.1039/c6cp05324f. PubMed PMID:27966685 .
- Abalo, R, Uranga, JA, Pérez-García, I, de Andrés, R, Girón, R, Vera, G et al.. May cannabinoids prevent the development of chemotherapy-induced diarrhea and intestinal mucositis? Experimental study in the rat. Neurogastroenterol Motil. 2017;29 (3):. doi: 10.1111/nmo.12952. PubMed PMID:27686064 .
- Canela, MD, Noppen, S, Bueno, O, Prota, AE, Bargsten, K, Sáez-Calvo, G et al.. Antivascular and antitumor properties of the tubulin-binding chalcone TUB091. Oncotarget. 2017;8 (9):14325-14342. doi: 10.18632/oncotarget.9527. PubMed PMID:27224920 PubMed Central PMC5362409.
Search PubMed
Esta página utiliza cookies y otras tecnologías para que podamos mejorar tu experiencia en nuestro sitio: Más información.