Publicaciones

  1. Jonathan Nué-Martinez, J, Cisneros, D, Dardonville, C. Methyl N-(tert-butoxycarbonyl)pyridine-2-carbimidothioate: a New Reagent for the Synthesis of N-phenylpyridinecarboxamidine ("arylimidamide") DNA-minor groove binders from Poorly Nucleophilic Amines. Bioorg Med Chem Lett. 2022; :128926. doi: 10.1016/j.bmcl.2022.128926. PubMed PMID:35944851 .
  2. Fernández-Ginés, R, Encinar, JA, Hayes, JD, Oliva, B, Rodríguez-Franco, MI, Rojo, AI et al.. Corrigendum to "An inhibitor of interaction between the transcription factor NRF2 and the E3 ubiquitin ligase adapter β-TrCP delivers anti-inflammatory responses in mouse liver" [Redox Biol. 55 (2022) 102396/PMID: 35839629]. Redox Biol. 2022; :102428. doi: 10.1016/j.redox.2022.102428. PubMed PMID:35931641 .
  3. Fonseca-Berzal, C, Ibáñez-Escribano, A, de Castro, S, Escario, JA, Gómez-Barrio, A, Arán, VJ et al.. 5-Nitroindazole-based compounds: further studies for activity optimization as anti-Trypanosoma cruzi agents. Acta Trop. 2022;234 :106607. doi: 10.1016/j.actatropica.2022.106607. PubMed PMID:35907502 .
  4. Gargantilla, M, Persoons, L, Kauerová, T, Del Río, N, Daelemans, D, Priego, EM et al.. Hybridization Approach to Identify Salicylanilides as Inhibitors of Tubulin Polymerization and Signal Transducers and Activators of Transcription 3 (STAT3). Pharmaceuticals (Basel). 2022;15 (7):. doi: 10.3390/ph15070835. PubMed PMID:35890135 PubMed Central PMC9318074.
  5. Fernández-Ginés, R, Encinar, JA, Hayes, JD, Oliva, B, Rodríguez-Franco, MI, Rojo, AI et al.. An inhibitor of interaction between the transcription factor NRF2 and the E3 ubiquitin ligase adapter β-TrCP delivers anti-inflammatory responses in mouse liver. Redox Biol. 2022;55 :102396. doi: 10.1016/j.redox.2022.102396. PubMed PMID:35839629 PubMed Central PMC9283934.
  6. López, JC, Alkorta, I, Macario, A, Blanco, S. Characterizing the n→π* interaction of pyridine with small ketones: a rotational study of pyridine⋯acetone and pyridine⋯2-butanone. Phys Chem Chem Phys. 2022;24 (25):15484-15493. doi: 10.1039/d2cp01611g. PubMed PMID:35713114 .
  7. Ferrer, M, Alkorta, I, Elguero, J, Oliva-Enrich, JM. Use of 5,10-Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO2. Chemphyschem. 2022; :e202200204. doi: 10.1002/cphc.202200204. PubMed PMID:35703469 .
  8. Homma, D, Taketani, S, Shirai, T, Caytan, E, Roussel, C, Elguero, J et al.. Rotational Behavior of N-(5-Substituted-pyrimidin-2-yl)anilines: Relayed Electronic Effect in Two N-Ar Bond Rotations. J Org Chem. 2022;87 (12):8118-8125. doi: 10.1021/acs.joc.2c00845. PubMed PMID:35657258 .
  9. Alkorta, I, Plane, JMC, Elguero, J, Dávalos, JZ, Acuña, AU, Saiz-Lopez, A et al.. Theoretical study of the NO3 radical reaction with CH2ClBr, CH2ICl, CH2BrI, CHCl2Br, and CHClBr2. Phys Chem Chem Phys. 2022;24 (23):14365-14374. doi: 10.1039/d2cp00021k. PubMed PMID:35642918 .
  10. Sebastián-Pérez, V, Martínez de Iturrate, P, Nácher-Vázquez, M, Nóvoa, L, Pérez, C, Campillo, NE et al.. Naphthoquinone as a New Chemical Scaffold for Leishmanicidal Inhibitors of Leishmania GSK-3. Biomedicines. 2022;10 (5):. doi: 10.3390/biomedicines10051136. PubMed PMID:35625873 PubMed Central PMC9139002.
  11. Martín-Escolano, R, Pérez-Cordón, G, Arán, VJ, Marín, C, Sánchez-Moreno, M, Rosales, MJ et al.. 5-Nitroindazole derivatives as potential therapeutic alternatives against Acanthamoeba castellanii. Acta Trop. 2022;232 :106538. doi: 10.1016/j.actatropica.2022.106538. PubMed PMID:35618027 .
  12. 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 .
  13. 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;24 (21):12804-12807. doi: 10.1039/d2cp01565j. PubMed PMID:35593316 .
  14. 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. Biomater Adv. 2022;134 :112551. doi: 10.1016/j.msec.2021.112551. PubMed PMID:35513950 .
  15. 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 .
  16. 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 .
  17. 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 .
  18. 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.
  19. 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.
  20. 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 .
  21. 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.
  22. 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.
  23. 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 .
  24. 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.
  25. 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.
  26. 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 .
  27. 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.
  28. 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.
  29. 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 .
  30. 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.
  31. 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.
  32. 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 .
  33. 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.
  34. 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 .
  35. 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 .
  36. Moreno, LO, Sánchez, PN, Abalo, R. Lipidomics as Tools for Finding Biomarkers of Intestinal Pathology: From Irritable Bowel Syndrome to Colorectal Cancer. Curr Drug Targets. 2022;23 (6):636-655. doi: 10.2174/1389450122666210707122151. PubMed PMID:34238154 .
  37. 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
  1. 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. Biomater Adv. 2022;134 :112551. doi: 10.1016/j.msec.2021.112551. PubMed PMID:35513950 .
  2. 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.
  3. 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.
  4. 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.
  5. 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.
  6. 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.
  7. 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 .
  8. 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.
  9. 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.
  10. 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.
  11. 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.
  12. 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.
  13. 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.
  14. 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.
  15. 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 .
  16. 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 .
  17. 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.
  18. 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.
  19. 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.
  20. 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.
  21. 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.
  22. 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 .
  23. 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.
  24. 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.
  25. 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.
  26. 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.
  27. 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.
  28. 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.
  29. 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 .
  30. 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.
  31. 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 .
  32. 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.
  33. 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.
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