Publicaciones

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

 

 

"Targeting PDE10A GAF Domain with Small Molecules: A Way for Allosteric Modulation with Anti-Inflammatory Effects" 
Garcia, AM; Brea, J; Gonzalez-Garcia, A; Perez, C; Cadavid, MI; Loza, MI; Martinez, A; Gil, C
MOLECULES201722, número 9  (ir a revista) 

"Hydrogen bond vs. halogen bond in cation-cation complexes. The effect of the solvent." 
Chalanchi, Saber Mohammadi; Alkorta, Ibon; Elguero, Jose; Quinonero, David
Chemphyschem : a European journal of chemical physics and physical chemistry2017,   (ir a revista) 

"Halogen bonding with carbene bases" 
Del Bene, JE; Alkorta, I; Elguero, J
CHEMICAL PHYSICS LETTERS2017685, 338-343  (ir a revista) 

"Azines as Electron-Pair Donors to CO2 for N···C Tetrel Bonds." 
Alkorta, Ibon; Elguero, Jose; Del Bene, Janet E
The journal of physical chemistry. A2017,   (ir a revista) 

"Modulating the Proton Affinity of Silanol and Siloxane Derivatives by Tetrel Bonds." 
Martin-Fernandez, Carlos; Montero-Campillo, M Merced; Alkorta, Ibon; Elguero, Jose
The journal of physical chemistry. A2017121, 7424-7431  (ir a revista) 

"Substituent effects on the basicity (pK(a)) of aryl guanidines and 2-(arylimino) imidazolidines: correlations of pH-metric and UV-metric values with predictions from gas-phase ab initio bond lengths (vol 41, pg 11016, 2017)" 
Dardonville, C; Caine, BA; de la Fuente, MN; Herranz, GM; Mariblanca, BC; Popelier, PLA
NEW JOURNAL OF CHEMISTRY201741, 11423-11423  (ir a revista) 

"Nitroxide stable radicals interacting as Lewis bases in hydrogen bonds: A search in the Cambridge structural data base for intermolecular contacts" 
Alkorta, I; Elguero, J; Elguero, E
JOURNAL OF MOLECULAR STRUCTURE20171148, 150-161  (ir a revista) 

"Activation of Dinitrogen as A Dipolarophile in 1,3-Dipolar Cycloadditions: A Theoretical Study Using Nitrile Imines as "Octet" 1,3-Dipoles" 
Montero-Campillo, MM; Alkorta, I; Elguero, J
SCIENTIFIC REPORTS20177, artículo 6115  (ir a revista) 

"The Curious Case of 2-Propy1-1H-benzimidazole in the Solid State: An Experimental and Theoretical Study" 
Quesada-Moreno, MM; Cruz-Cabeza, AJ; Aviles-Moreno, JR; Cabildo, P; Claramunt, RM; Alkorta, I; Elguero, J; Zuniga, FJ; Lopez-Gonzalez, JJ
JOURNAL OF PHYSICAL CHEMISTRY A2017121, 5665-5674  (ir a revista) 

"Beryllium-based fluorenes as efficient anion sponges" 
Montero-Campillo, MM; Corral, I; Mo, O; Yanez, M; Alkorta, I; Elguero, J
PHYSICAL CHEMISTRY CHEMICAL PHYSICS201719, 23052-23059  (ir a revista) 

"The GSK-3-inhibitor VP2.51 produces antidepressant effects associated with adult hippocampal neurogenesis" 
Perez-Domper, P; Palomo, V; Gradari, S; Gil, C; de Ceballos, ML; Martinez, A; Trejo, JL
NEUROPHARMACOLOGY2017116, 174-187  (ir a revista) 

"Simple dialkyl pyrazole-3,5-dicarboxylates show in vitro and in vivo activity against disease-causing trypanosomatids" 
Reviriego, F; Olmo, F; Navarro, P; Marin, C; Ramirez-Macias, I; Garcia-Espana, E; Albelda, MT; Gutierrez-Sanchez, R; Sanchez-Moreno, M; Aran, VJ
PARASITOLOGY2017144, 1133-1143  (ir a revista) 

"Structural basis of the substrate specificity and instability in solution of a glycosidase from Lactobacillus plantarum." 
Iván Acebrón, Laura Plaza-Vinuesa, Blanca de las Rivas, Rosario Muñoz, J. Cumella, F. Sánchez-Sancho, José Miguel Mancheño
Biochim. Biophys. Acta - Proteins and Proteomics20171865, 1227-1236  (ir a revista) 

"3-(Benzyloxy)-1-(5-[18F]fluoropentyl)-5-nitro-1H-indazole: a PET radiotracer to measure acetylcholinesterase in brain" 
Soledad Fernández , Javier Giglio, Ana Laura Reyes, Andrés Damián, Concepción Pérez, Daniel I Pérez, Mercedes González, Patricia Oliver, Ana Rey , Henry Engler, Hugo Cerecetto
FUTURE MEDICINAL CHEMISTRY20179, 983-994  (ir a revista) 

"Cannabinoid derivatives exert a potent anti-myeloma activity both in vitro and in vivo" 
Barbado, M. V.; Medrano, M.; Caballero-Velazquez, T.; Alvarez-Laderas, I.; Sanchez-Abarca, L. I.; Garcia-Guerrero, E.; Martin-Sanchez, J.; Rosado, I. V.; Piruat, J. I.; Gonzalez-Naranjo, P.; Campillo, N. E.; Paez, J. A.; Perez-Simon, J. A.
INTERNATIONAL JOURNAL OF CANCER2017140, 674-685  (ir a revista) 

"Subtly Modulating Glycogen Synthase Kinase 3 beta: Allosteric Inhibitor Development and Their Potential for the Treatment of Chronic Diseases" 
Palomo, V; Perez, DI; Roca, C; Anderson, C; Rodriguez-Muela, N; Perez, C; Morales-Garcia, JA; Reyes, JA; Campillo, NE; Perez-Castillo, AM; Rubin, LL; Timchenko, L; Gil, C; Martinez, A
JOURNAL OF MEDICINAL CHEMISTRY201760, 4983-5001  (ir a revista) 

"First example of peptides targeting the dimer interface of Leishmania infantum trypanothione reductase with potent in vitro antileishmanial activity" 
Ruiz-Santaquiteria, M; Sanchez-Murcia, PA; Toro, MA; de Lucio, H; Gutierrez, KJ; de Castro, S; Carneiro, FAC; Gago, F; Jimenez-Ruiz, A; Camarasa, MJ; Velazquez, S
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY2017135, 49-59  (ir a revista) 

"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" 
Guerra, A; Gonzalez-Naranjo, P; Campillo, NE; Varela, J; Lavaggi, ML; Merlino, A; Cerecetto, H; Gonzalez, M; Gomez-Barrio, A; Escario, JA; Fonseca-Berzal, C; Yaluf, G; Paniagua-Solis, J; Paez, JA
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY2017136, 223-234  (ir a revista) 

"The alkaloids of Banisteriopsis caapi, the plant source of the Amazonian hallucinogen Ayahuasca, stimulate adult neurogenesis in vitro" 
Morales-García, J.A.; de la Fuente-Revenga, M.; Alonso-Gil, S.; Rodríguez-Franco, M. I.; Feilding, A.; Pérez-Castillo, A.; Riba, J.
Sci. Rep. 201720177, Article number: 5309  (ir a revista) 

"New Methods for the Synthesis of Cannabidiol Derivatives" 
Ana Lago-Fernandez, Vanessa Redondo, Laura Hernandez-Folgado, Laura Figuerola-Asencio, Nadine Jagerovic
Elsevier2017, 237-257  (ir a revista) 

"An Overview on Medicinal Chemistry of Synthetic and Natural Derivatives of Cannabidiol" 
Paula Morales, Patricia H. Reggio and Nadine Jagerovic
frontiers in Pharmacology20178, Article 422  (ir a revista) 

"Synthesis of a novel CB2 cannabinoid-porphyrin conjugate based on an antitumor chromenopyrazoledione" 
Paula Morales, Laura Moreno, Javier Fernández-Ruiz, Nadine Jagerovic
Journal of Porphyrins and Phthalocyanines201721, 67-76  (ir a revista) 

"Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery" 
Ponzoni, I; Sebastian-Perez, V; Requena-Triguero, C; Roca, C; Martinez, MJ; Cravero, F; Diaz, MF; Paez, JA; Arrayas, RG; Adrio, J; Campillo, NE
SCIENTIFIC REPORTS20177, artículo 2403  (ir a revista) 

"Antiviral activity of [1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-ones against chikungunya virus targeting the viral capping nsP1." 
Gigante, Alba; Gomez-SanJuan, Asier; Delang, Leen; Li, C; Bueno, Oskia; Gamo, Ana Maria; Priego, Eva-Maria; Camarasa, Maria-Jose; Jochmans, Dirk; Leyssen, Pieter; Decroly, Etienne; Coutard, Bruno; Querat, Gilles; Neyts, Johan; Perez-Perez, Maria-Jesus
Antiviral research2017,   (ir a revista) 

"Carbenes as Electron-Pair Donors for P center dot center dot center dot C Pnicogen Bonds" 
Del Bene, JE; Alkorta, I; Elguero, J
CHEMPHYSCHEM201718 nº12, 1597-1610  (ir a revista) 

"Bis-2-aminoimidazolines and Bisguanidines: Synthetic Approaches, Antiparasitic Activity and DNA Binding Properties." 
Dardonville, Christophe; Martinez, J Jonathan Nue
Current medicinal chemistry2017,   (ir a revista) 

"Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast" 
Millan, C.; Acosta-Reyes, F.; Lagartera, L.; Ebiloma, G.; Lemgruber, L.; Nué Martinez, J.J.; Saperas, N.; Dardonville, C.; de Koning, H.; Campos, J.L.
Nucleic Acids Res2017in press,   (ir a revista) 

"Dry selection and wet evaluation for the rational discovery of new anthelmintics" 
Marrero-Ponce, Y.; González Castañeda, Y.; Vivas-Reyes, R.; Vergara, F. M.; Arán, V. J.; Castillo-Garit, J. A.; Pérez-Giménez, F.; Torrens, F.; Le-Thi-Thu, H.; Pham-The, H.; Vera Montenegro, Y.; Ibarra-Velarde, F.
Mol. Phys.2017, in press  (ir a revista) 

" New Imidazole-Based Compounds Active Against Trypanosoma cruzi" 
Adeyemi, OS; Molina, MT; Eseola, AO; Fonseca-Berzal, C; Gomez-Barrio, A
COMB CHEM & HIGH THROUGHPUT SCREENING201720(1), 20-24  (ir a revista) 

"Hydrogen-bonded complexes with carbenes as electron-pair donors" 
Del Bene, JE; Alkorta, I; Elguero, J
CHEMICAL PHYSICS LETTERS2017675, 46 - 50  (ir a revista) 

"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" 
Monjas, L; Arce, MP; Leon, R; Egea, J; Perez, C; Villarroya, M; Lopez, MG; Gil, C; Conde, S; Rodriguez-Franco, MI
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY2017130, 60 - 72  (ir a revista) 

"Crystal structure of (1Z,4Z)-2,4-dimethyl-3H-benzo[b][1,4]diazepine" 
Nieto, CI; Claramunt, RM; Torralba, MC; Torres, MR; Elguero, J
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS201773, 647-+  (ir a revista) 

"Novel Imidazo[4,5-c][1,2,6]thiadiazine 2,2-dioxides as antiproliferative trypanosoma cruzi drugs: Computational screening from neural network, synthesis and invivo biological properties." 
Guerra, Angela; Gonzalez-Naranjo, Pedro; Campillo, Nuria E; Varela, Javier; Lavaggi, Maria L; Merlino, Alicia; Cerecetto, Hugo; Gonzalez, Mercedes; Gomez-Barrio, Alicia; Escario, Jose A; Fonseca-Berzal, Cristina; Yaluf, Gloria; Paniagua-Solis, Jorge; Paez, Juan A
European journal of medicinal chemistry2017136, 223 - 234  (ir a revista) 

"Curcumin Related 1,4-Diazepines: Regioselective Synthesis, Structure Analysis, Tautomerism, NMR Spectroscopy, X-ray Crystallography, Density Functional Theory and GIAO Calculations" 
Nieto, CI; Andrade, A; Sanz, D; Claramunt, RM; Torralba, MC; Torres, MR; Alkorta, I; Elguero, J
CHEMISTRYSELECT20172, volumen 13, 3732 - 3738  (ir a revista) 

"The organic chemistry of poly(1H-pyrazol-1-yl)methanes" 
Alkorta, I; Claramunt, RM; Diez-Barra, E; Elguero, J; de la Hoz, A; Lopez, C
COORDINATION CHEMISTRY REVIEWS2017339, 153-182  (ir a revista) 

"Trapping CO2 by Adduct Formation with NHC's: A Theoretical Study." 
Alkorta, Ibon; Montero-Campillo, Maria de la Merced; Elguero, Jose
Chemistry (Weinheim an der Bergstrasse, Germany)2017,   (ir a revista) 

"Carbenes as Electron-Pair Donors To CO2 for C center dot center dot center dot C Tetrel Bonds and C-C Covalent Bonds" 
Del Bene, JE; Alkorta, I; Elguero, J
JOURNAL OF PHYSICAL CHEMISTRY A2017121, 4039-4047  (ir a revista) 

"The structure of N-arylindazoles and their aza-derivatives in the solid state: A systematic analysis of the Cambridge Structural Database coupled with DFT calculations" 
Alkorta, I; Elguero, J
JOURNAL OF MOLECULAR STRUCTURE20171137, 186-192  (ir a revista) 

"First example of peptides targeting the dimer interface of Leishmania infantum trypanothione reductase with potent invitro antileishmanial activity." 
Ruiz-Santaquiteria, Marta; Sanchez-Murcia, Pedro A; Toro, Miguel A; de Lucio, Hector; Gutierrez, Kilian Jesus; de Castro, Sonia; Carneiro, Filipa A C; Gago, Federico; Jimenez-Ruiz, Antonio; Camarasa, Maria-Jose; Velazquez, Sonsoles
European journal of medicinal chemistry2017135, 49-59  (ir a revista) 

"Optimization of bicyclic lactam derivatives as NMDA receptor antagonists" 
Espadinha, M.; Dourado, J.; Lajarín-Cuesta, R.; Herrera-Arozamena, C.; Gonçalves, L.; Rodríguez-Franco, M. I.; de los Ríos, C.; Santos, M. M. M.
ChemMedChem201712, 537-545  (ir a revista) 

"Theoretical Study of Intramolecular Interactions in Peri-Substituted Naphthalenes: Chalcogen and Hydrogen Bonds" 
Sanchez-Sanz, G; Alkorta, I; Elguero, J
MOLECULES201722 num 2, Número de artículo 227   (ir a revista) 

"New pyridazinone-4-carboxamides as new cannabinoid receptor type-2 inverse agonists: Synthesis, pharmacological data. and molecular docking" 
Ragusa, G; Gomez-Canas, M; Morales, P; Rodriguez-Cueto, C; Pazos, MR; Asproni, B; Cichero, E; Fossa, P; Pinna, GA; Jagerovic, N; Fernandez-Ruiz, J; Murineddu, G
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY2017127, 398-412  (ir a revista) 

"Lone-Pair Hole on P: P center dot center dot center dot N Pnicogen Bonds Assisted by Halogen Bonds" 
Del Bene, JE; Alkorta, I; Elguero, J; Sanchez-Sanz, G
JOURNAL OF PHYSICAL CHEMISTRY A2017121 num 6, 1362-1370  (ir a revista) 

"Carbenes as Electron-Pair Donors for PC Pnicogen Bonds." 
Del Bene, Janet E; Alkorta, Ibon; Elguero, Jose
Chemphyschem : a European journal of chemical physics and physical chemistry2017,   (ir a revista) 

"An insight on the aromatic changes in closed shell icosagen, tetrel, and pnictogen phenalenyl derivatives" 
Trujillo, C; Sanchez-Sanz, G; Alkorta, I; Elguero, J
STRUCTURAL CHEMISTRY201728 num 2, 345-355  (ir a revista) 

"Simple dialkyl pyrazole-3,5-dicarboxylates show in vitro and in vivo activity against disease-causing trypanosomatids." 
Reviriego, Felipe; Olmo, Francisco; Navarro, Pilar; Marin, Clotilde; Ramirez-Macias, Inmaculada; Garcia-Espana, Enrique; Albelda, Maria Teresa; Gutierrez-Sanchez, Ramon; Sanchez-Moreno, Manuel; Aran, Vicente J
Parasitology2017, 1-11  (ir a revista) 

"Y 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" 
Quesada-Moreno, MM; Aviles-Moreno, JR; Lopez-Gonzalez, JJ; Jacob, K; Vendier, L; Etienne, M; Alkorta, I; Elguero, J; Claramunt, RM
PHYSICAL CHEMISTRY CHEMICAL PHYSICS201719 num. 2, 1632-1643  (ir a revista) 

"On the ionophoric selectivity of nonactin and related macrotetrolide derivatives" 
Martinez-Haya, B; Aviles-Moreno, JR; Hamad, S; Elguero, J
PHYSICAL CHEMISTRY CHEMICAL PHYSICS201719 num. 2, 1288-1297  (ir a revista) 

"Modulating Mineralocorticoid Receptor with Non-steroidal Antagonists. New Opportunities for the Development of Potent and Selective Ligands without Off-Target Side Effects." 
Martin-Martinez, Mercedes; Perez-Gordillo, Felipe L; Alvarez de la Rosa, Diego; Rodriguez, Yoel; Gerona-Navarro, Guillermo; Gonzalez-Muniz, Rosario; Zhou, Ming-Ming
Journal of medicinal chemistry2017,   (ir a revista) 

"Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome" 
Mansilla, A; Chaves-Sanjuan, A; Campillo, NE; Semelidou, O; Martinez-Gonzalez, L; Infantes, L; Gonzalez-Rubio, JM; Gil, C ; Conde, S; Skoulakis, EMC; Ferrus, A; Martinez, A; Sanchez-Barrena, MJ
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA2017114 num. 6, E999-E1008  (ir a revista) 

"Conjugates of 2,4-Dihydroxybenzoate and Salicylhydroxamate and Lipocations Display Potent Antiparasite Effects by Efficiently Targeting the Trypanosoma brucei and Trypanosoma congolense Mitochondrion." 
Fueyo Gonzalez, Francisco Jose; Ebiloma, Godwin U; Izquierdo Garcia, Carolina; Bruggeman, Victor; Sanchez Villamanan, Jose Maria; Donachie, Anne; Balogun, Emmanuel Oluwadare; Inaoka, Daniel Ken; Shiba, Tomoo; Harada, Shigeharu; Kita, Kiyoshi; de Koning, Harry P; Dardonville, Christophe
Journal of medicinal chemistry201760 núm 4, 1509-1522  (ir a revista) 

"Pharmacological aspects of novel antiobesity agents related to cannabinoids. In Handbook of Cannabis and Related Pathologies" 
Hernandez-Folgado, L.
Preedy, V.R.; Academic Press2017,    ISBN 9780128007563

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