Publicaciones

Busque por el año, autor, palabra del título, nombre de la revista, etc.

 

 

"Multi-target-directed ligands for Alzheimer´s disease: discovery of chromone-based monoamine oxidase/cholinesterase inhibitors" 
Reis, J.; Cagide, F.; Estrada Valencia, M.; Teixeira, J.; Bagetta, D.; Pérez, C.; Uriarte, E.; Oliveira, P. J.; Ortuso, F.; Alcaro, S.; Rodríguez-Franco, M. I.; Borges, F.
Eur. J. Med. Chem.2018158, 781-800  (ir a revista) 

"Current progress on antioxidants incorporating the pyrazole core" 
Silva, VLM; Elguero, J; Silva, AMS
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY2018156, 394-429  (ir a revista) 

"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." 
Alkorta, Ibon; Legon, Anthony C
Molecules (Basel, Switzerland)201823 num 9,   (ir a revista) 

"Tau-Centric Multitarget Approach for Alzheimer's Disease: Development of First-in-Class Dual Glycogen Synthase Kinase 3 beta and Tau-Aggregation Inhibitors" 
Gandini, A; Bartolini, M; Tedesco, D; Martinez-Gonzalez, L; Roca, C; Campillo, NE; Zaldivar-Diez, J; Perez, C; Zuccheri, G; Miti, A; Feoli, A; Castellano, S; Petralla, S; Monti, B; Rossi, M; Moda, F; Legname, G; Martinez, A; Bolognesi, ML
JOURNAL OF MEDICINAL CHEMISTRY201861 num 17, 7640-7656  (ir a revista) 

"Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4" 
de las Rivas, M; Daniel, EJP; Coelho, H; Lira-Navarrete, E; Raich, L; Companon, I; Diniz, A; Lagartera, L; Jimenez-Barbero, J; Clausen, H; Rovira, C; Marcelo, F; Corzana, F; Gerken, TA; Hurtado-Guerrero, R
ACS CENTRAL SCIENCE20184 num 9, 1274-1290  (ir a revista) 

"The structure of four thallium tris(1H-pyrazol-1-yl)hyphydroborates in the solid state by X-ray crystallography and in solution by NMR and DFT-GIAO calculations" 
Infantes, L; Moreno, JM; Claramunt, RM; Sanz, D; Alkorta, I; Elguero, J
INORGANICA CHIMICA ACTA2018483, 402-410  (ir a revista) 

"Novel Polyphenols That Inhibit Colon Cancer Cell Growth Affecting Cancer Cell Metabolism." 
Gomez de Cedron, Marta; Vargas, Teodoro; Madrona, Andres; Jimenez, Aranza; Perez-Perez, Maria-Jesus; Quintela, Jose-Carlos; Reglero, Guillermo; San-Felix, Ana; Ramirez de Molina, Ana
The Journal of pharmacology and experimental therapeutics2018366, 377-389  (ir a revista) 

"Complexes of O=C=S with Nitrogen Bases: Chalcogen Bonds, Tetrel Bonds, and Other Secondary Interactions" 
Alkorta, I; Elguero, J; Del Bene, JE
CHEMPHYSCHEM201819, 1886-1894  (ir a revista) 

"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." 
Camarasa, Maria-Jose
ChemMedChem2018, Journal Article  (ir a revista) 

"SAR of 4-Alkoxybenzoic Acid Inhibitors of the Trypanosome Alternative Oxidase" 
Meco Navas, A; Ebiloma, GU; Martín Domínguez, A; Martínez Benayas, I; Cueto-Diaz, EJ; Saud Alhejely, A; Balogun, EO; Saito, M; Matsui, M; Arai, N; Shiba, T; Harada, S; de Koning, HP; Dardonville, C
ACS MEDICINAL CHEMISTRY LETTERS2018,   (ir a revista) 

"From diiodo Troger's bases towards halogen-bonded porous organic crystalline materials" 
Gonzalez, L; Graus, S; Tejedor, RM; Lopez, P; Elguero, J; Serrano, JL; Uriel, S
CRYSTENGCOMM201820, num. 23 pag 3167-3170  (ir a revista) 

"Strengths of non-covalent interactions in hydrogen-bonded complexes B center dot center dot center dot HX and halogen-bonded complexes B center dot center dot center dot XY (X, Y = F, Cl): an ab initio investigation" 
Alkorta, I; Legon, A
NEW JOURNAL OF CHEMISTRY201842, num. 13 pag 10548-10554  (ir a revista) 

"EuCheMS ECC7 in Liverpool: Chemistry and More!" 
Goya, Pilar
Angewandte Chemie (International ed. in English)2018, Editorial  (ir a revista) 

"Emerging strategies targeting CB2 cannabinoid receptor: Biased agonism and allosterism." 
Morales, Paula; Goya, Pilar; Jagerovic, Nadine
Biochemical pharmacology2018, Journal Article; Review  (ir a revista) 

"Neurogenic and neuroprotective donepezil - flavonoid hybrids (DFHs) with sigma-1 affinity and inhibition of key enzymes in Alzheimer’s disease" 
Estrada Valencia, M.; Herrera-Arozamena, C.; de Andrés, L.; Pérez, C.; Morales-Garcia, J.; Pérez-Castillo, A.; Ramos., E.; Romero, A.; Viña, D.; Yáñez, M.; Laurini, E.; Pricl, S.; Rodríguez-Franco, M. I.
Eur. J. Med. Chem2018156, 534-553  (ir a revista) 

"Drug repositioning for novel antitrichomonas from known antiprotozoan drugs using hierarchical screening" 
Meneses-Marcel, A; Marrero-Ponce, Y; Ibanez-Escribano, A; Gomez-Barrio, A; Escario, JA; Barigye, SJ; Teran, E; Garcia-Jacas, CR; Machado-Tugores, Y; Nogal-Ruiz, JJ; Aran-Redo, VJ
FUTURE MEDICINAL CHEMISTRY201810 num 8, 863-878  (ir a revista) 

"Antichagasic, Leishmanicidal, and Trichomonacidal Activity of 2-Benzyl-5-nitroindazole-Derived Amines" 
Fonseca-Berzal, C; Ibanez-Escribano, A; Vela, N; Cumella, J; Nogal-Ruiz, JJ; Escario, JA; da Silva, PB; Batista, MM; Soeiro, MDC; Sifontes-Rodriguez, S; Meneses-Marcel, A; Gomez-Barrio, A; Aran, VJ
CHEMMEDCHEM201813, num 12, 1246-1259  (ir a revista) 

"A Novel Class of Cationic and Non-Peptidic Small Molecules as Hits for the Development of Antimicrobial Agents." 
Jimenez, Aranza; Garcia, Pablo; de la Puente, Sofia; Madrona, Andres; Camarasa, Maria Jose; Perez-Perez, Maria-Jesus; Quintela, Jose-Carlos; Garcia-Del Portillo, Francisco; San-Felix, Ana
Molecules (Basel, Switzerland)201823, num. 7,   (ir a revista) 

" The melatonin analog IQM316 may induce adult hippocampal neurogenesis and preserve recognition memories in mice." 
Figueiró-Silva, J.; Antequera, D.; Pascual, C.; de la Fuente Revenga, M.; Volt, H.; Acuña-Castroviejo, D.; Rodríguez-Franco, M. I.; Carro, E.
Cell Transplant201827, 423-437  (ir a revista) 

"Predicted Gas-Phase and Liquid-Phase Acidities of Carborane Carboxylic and Dicarboxylic Acids" 
Oliva-Enrich, JM; Humbel, S; Santaballa, JA; Alkorta, I; Notario, R; Davalos, JZ; Canle-L, M; Bernhardt, E; Holub, J; Hnyk, D
CHEMISTRYSELECT20183, num 16, 4344-4353  (ir a revista) 

"Trapping One Electron between Three Beryllium Atoms: Very Strong One-Electron Three-Center Bonds" 
Alkorta, I; Montero-Campillo, MM; Elguero, J; Yanez, M; Mo, O
CHEMPHYSCHEM201819 num 9, 1068-1074  (ir a revista) 

"Computational study of the thermal decomposition and the thermochemistry of allyl ethers and ally, sulfides" 
Aristizabal, L; Angel, M; Orozco, C; Ruiz, P; Quijano, J; Notario, R
STRUCTURAL CHEMISTRY201829, num 3, 897-907  (ir a revista) 

"Complexes between neutral oxyacid beryllium salts and dihydrogen: a possible way for hydrogen storage?" 
Alkorta, Ibon; Montero-Campillo, M Merced; Elguero, Jose; Yanez, Manuel; Mo, Otilia
Dalton transactions (Cambridge, England : 2003)2018,   (ir a revista) 

"Automated techniques in pKa determination: Low, medium and high-throughput screening methods" 
Dardonville, C.
DRUG DISCOVERY TODAY: TECHNOLOGIES201827, 49-58  (ir a revista) 

"The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease" 
Farran, MA; Bonet, MA; Claramunt, RM; Torralba, MC; Alkorta, I; Elguero, J
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY201874, 513-+  (ir a revista) 

"Inhibition of the Replication of Different Strains of Chikungunya Virus by 3-Aryl-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-ones" 
Gomez-SanJuan, A; Gamo, AM; Delang, L; Perez-Sanchez, A; Amrun, SN; Abdelnabi, R; Jacobs, S; Priego, EM; Camarasa, MJ; Jochmans, D; Leyssen, P; Ng, LFP; Querat, G; Neyts, J; Perez-Perez, MJ
ACS INFECTIOUS DISEASES20184 num 4, 605-619  (ir a revista) 

"Antichagasic, Leishmanicidal and Trichomonacidal Activity of 2-Benzyl-5-nitroindazole-Derived Amines." 
Aran, Vicente J; Fonseca-Berzal, Cristina; Ibanez-Escribano, Alexandra; Vela, Nerea; Cumella, Jose; Nogal-Ruiz, Juan Jose; Escario, Jose Antonio; da Silva, Patricia Bernardino; Batista, Marcos Meuser; Soeiro, Maria de Nazare C; Sifontes-Rodriguez, Sergio; Meneses-Marcel, Alfredo; Gomez-Barrio, Alicia
ChemMedChem2018, Journal Article  (ir a revista) 

"Synthesis, Structure and Anion Sensing Properties of a Dicationic Bis(imidazolium)-Based Cyclophane" 
Sabater, P; Zapata, F; Caballero, A; Alkorta, I; de Arellano, CR; Elguero, J; Molina, P
CHEMISTRYSELECT20183, 3855-3859  (ir a revista) 

"Complexes of O=C=S with Nitrogen Bases: Chalcogen Bonds, Tetrel Bonds, and Other Secondary Interactions." 
Alkorta, Ibon; Elguero, Jose; Del Bene, Janet E
Chemphyschem : a European journal of chemical physics and physical chemistry2018, Journal Article  (ir a revista) 

"Be- and Mg-Based Electron and Anion Sponges." 
Montero-Campillo, M Merced; Mo, Otilia; Yanez, Manuel; Alkorta, Ibon; Elguero, Jose
Chemphyschem : a European journal of chemical physics and physical chemistry2018, Journal Article  (ir a revista) 

"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" 
Ebiloma, G. U.; Ayuga, T. D.; Balogun, E. O.; Gil, L. A.; Donachie, A.; Kaiser, M.; Herraiz, T.; Inaoka, D. K.; Shiba, T.; Harada, S.; Kita, K.; de Koning, H. P.; Dardonville, C.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY2018150, 385-402  (ir a revista) 

"The structure of fosfomycin salts in solution and in the solid state by nuclear magnetic resonance spectroscopy and DFT calculations" 
Pérez Torralba, M.; Sanz, D.; Claramunt, R. M.; Alkorta, I.; Dardonville, C.; Elguero, J.
TETRAHEDRON201842, 3937-3942  (ir a revista) 

"Prediction of Aqueous pKa Values for Guanidine-Containing Compounds Using Ab Initio Gas-Phase Equilibrium Bond Lengths" 
Caine, BA; Dardonville, C; Popelier, PLA
ACS OMEGA20183, 3835-3850  (ir a revista) 

"Innovative Therapeutic Potential of Cannabinoid Receptors as Targets in Alzheimer's disease and Less Well-Known Diseases." 
Paez, Juan A; Campillo, Nuria E
Current medicinal chemistry2018,   (ir a revista) 

"Polypharmacology in HIV inhibition: can a drug with simultaneous action against two relevant targets be an alternative to combination therapy?" 
de Castro, Sonia; Camarasa, Maria-Jose
European journal of medicinal chemistry2018150, 206-227  (ir a revista) 

"Study of Meldrum's Acid Cyclization Reactions" 
Trujillo, C; Goya, P; Rozas, I
JOURNAL OF PHYSICAL CHEMISTRY A2018122 vol 9, 2535-2541  (ir a revista) 

"High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design" 
Bueno, O; Gallego, JE; Martins, S; Prota, AE; Gago, F; Gomez-SanJuan, A; Camarasa, MJ; Barasoain, I; Steinmetz, MO; Diaz, JF; Perez-Perez, MJ; Liekens, S; Priego, EM
SCIENTIFIC REPORTS20188, artículo 4242  (ir a revista) 

"A vibrational circular dichroism (VCD) methodology for the measurement of enantiomeric excess in chiral compounds in the solid phase and for the complementary use of NMR and VCD techniques in solution: the camphor case" 
Quesada-Moreno, MM; Virgili, A; Monteagudo, E; Claramunt, RM; Aviles-Moreno, JR; Lopez-Gonzalez, JJ; Alkorta, I; Elguero, J
ANALYST2018143, 1406-1416  (ir a revista) 

"Conformational mimetics of the alpha-methyl chalcone TUB091 binding tubulin: Design, synthesis and antiproliferative activity." 
Bueno, Oskia; Tobajas, Gloria; Quesada, Ernesto; Estevez-Gallego, Juan; Noppen, Sam; Camarasa, Maria-Jose; Diaz, Jose-Fernando; Liekens, Sandra; Priego, Eva-Maria; Perez-Perez, Maria-Jesus
European journal of medicinal chemistry2018148, 337-348  (ir a revista) 

"Fostering the Basic Instinct of Boron in Boron-Beryllium Interactions." 
Montero-Campillo, M Merced; Alkorta, Ibon; Elguero, Jose
The journal of physical chemistry. A2018122, num. 12, pag. 3313-3319  (ir a revista) 

"Trypanothione reductase inhibition and anti-leishmanial activity of all-hydrocarbon stapled alpha-helical peptides with improved proteolytic stability." 
Ruiz-Santaquiteria, Marta; de Castro, Sonia; Toro, Miguel A; de Lucio, Hector; Gutierrez, Kilian Jesus; Sanchez-Murcia, Pedro A; Jimenez, Maria Angeles; Gago, Federico; Jimenez-Ruiz, Antonio; Camarasa, Maria-Jose; Velazquez, Sonsoles
European journal of medicinal chemistry2018149, 238-247  (ir a revista) 

"Amino acid and peptide prodrugs of diphenylpropanones positive allosteric modulators of alpha7 nicotinic receptors with analgesic activity." 
Balsera, Beatriz; Mulet, Jose; Sala, Salvador; Sala, Francisco; de la Torre-Martinez, Roberto; Gonzalez-Rodriguez, Sara; Plata, Adrian; Naesens, Lieve; Fernandez-Carvajal, Asia; Ferrer-Montiel, Antonio; Criado, Manuel; Perez de Vega, Maria Jesus; Gonzalez-Muniz, Rosario
European journal of medicinal chemistry2018143, 157-165  (ir a revista) 

"Are beryllium-containing biphenyl derivatives efficient anion sponges?" 
Brea, O; Mo, O; Yanez, M; Montero-Campillo, MM; Alkorta, I; Elguero, J
JOURNAL OF MOLECULAR MODELING201824, artículo 16  (ir a revista) 

"The Structure of N-phenyl-pyrazoles and Indazoles: Mononitro, Dinitro, and Trinitro Derivatives" 
Claramunt, RM; Maria, DS; Alkorta, I; Elguero, J
JOURNAL OF HETEROCYCLIC CHEMISTRY201855, 44-64  (ir a revista) 

"Alkaline-earth (Be, Mg and Ca) bonds at the origin of huge acidity enhancements" 
Montero-Campillo, MM; Sanz, P; Mo, O; Yanez, M; Alkorta, I; Elguero, J
PHYSICAL CHEMISTRY CHEMICAL PHYSICS201820, 2413-2420  (ir a revista) 

"Trapping one electron between three beryllium atoms. Very strong one-electron three-center bonds." 
Alkorta, Ibon; Montero-Campillo, M Merced; Elguero, Jose; Yanez, Manuel; Mo, Otilia
Chemphyschem : a European journal of chemical physics and physical chemistry2018,   (ir a revista) 

"The structure of 2,4,6-tris(1H-pyrazol-1-yl)-1,3,5-triazine in the solid state: on polymorphs, pseudopolymorphs and co-crystals" 
Alkorta, I; Reviriego, F; Elguero, J; Monge, MA; Gutierrez-Puebla, E
Ver ResearcherID y ORCID201829, 15-21  (ir a revista) 

"Hydrogen-Bonding Acceptor Character of Be3, the Beryllium Three-Membered Ring." 
Alkorta, Ibon; Martin-Fernandez, Carlos; Montero-Campillo, M Merced; Elguero, Jose
The journal of physical chemistry. A2018122, 1472-1478  (ir a revista) 

"Inhibition of the Replication of Different Strains of Chikungunya Virus by 3-Aryl-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-ones." 
Gomez-SanJuan, Asier; Gamo, Ana-Maria; Delang, Leen; Perez-Sanchez, Alfonso; Amrun, Siti Naqiah; Abdelnabi, Rana; Jacobs, Sofie; Priego, Eva-Maria; Camarasa, Maria-Jose; Jochmans, Dirk; Leyssen, Pieter; Ng, Lisa F P; Querat, Gilles; Neyts, Johan; Perez-Perez, Maria-Jesus
ACS infectious diseases2018,   (ir a revista) 

"Remote modulation of singlet-triplet gaps in carbenes" 
Alkorta, I; Montero-Campillo, MM; Elguero, J
CHEMICAL PHYSICS LETTERS2018694, 48-52  (ir a revista) 

"A theoretical NMR study of selected benzazoles: Comparison of GIPAW and GIAO-PCM (DMSO) calculations" 
Marin-Luna, M; Alkorta, I; Elguero, J
MAGNETIC RESONANCE IN CHEMISTRY201856, Num. 3, pag 164-171  (ir a revista) 

"Molecular structure in the solid state by X-ray crystallography and SSNMR and in solution by NMR of two 1,4-diazepines" 
Nieto, CI; Sanz, D; Claramunt, RM; Torralba, MC; Torres, MR; Alkorta, I ; Elguero, J
JOURNAL OF MOLECULAR STRUCTURE20181155, 205-214  (ir a revista) 

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