Pharmacology & Toxicology
Listando 17 trabajos del autor/autora 38
Lista de trabajos en el área Pharmacology & Toxicology
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Article
Bicyclic alpha-Iminophosphonates as High Affinity Imidazoline I-2 Receptor Ligands for Alzheimer's Disease
Abas, Sonia; Rodriguez-Arevalo, Sergio; Bagan, Andrea; Grinan-Ferre, Christian; Vasilopoulou, Foteini; Brocos-Mosquera, Iria; Muguruza, Carolina; Perez, Belen; Molins, Elies; Javier Luque, F.; Perez-Lozano, Pilar; De Jonghe, Steven; Daelemans, Dirk; Naesen
JOURNAL OF MEDICINAL CHEMISTRY
0022-2623 (2020)
DOI /
10.1021/acs.jmedchem.9b02080
Green accepted, Green submitted
Mentions
36
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1
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Article
Centrally Active Multitarget Anti-Alzheimer Agents Derived from the Antioxidant Lead CR-6
Javier Perez-Areales, F.; Garrido, Maria; Aso, Ester; Bartolini, Manuela; De Simone, Angela; Espargaro, Alba; Ginex, Tiziana; Sabate, Raimon; Perez, Belen; Andrisano, Vincenza; Puigoriol-Illamola, Dolors; Pallas, Merce; Javier Luque, F.; Isabel Loza, Maria
JOURNAL OF MEDICINAL CHEMISTRY
0022-2623 (2020)
DOI /
10.1021/acs.jmedchem.0c00528
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0
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1
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Article
Design, synthesis and multitarget biological profiling of second-generation anti-Alzheimer rhein-huprine hybrids
Javier Perez-Areales, Francisco; Betari, Nibal; Viayna, Antonio; Pont, Caterina; Espargaro, Alba; Bartolini, Manuela; De Simone, Angela; Rinaldi Alvarenga, Jose Fernando; Perez, Belen; Sabate, Raimon; Maria Lamuela-Raventos, Rosa; Andrisano, Vincenza; Javi
FUTURE MEDICINAL CHEMISTRY
1756-8919 (2017)
DOI /
10.4155/fmc-2017-0049
Mentions
13
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1
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Article
Assessing the Performance of Mixed Strategies To Combine Lipophilic Molecular Similarity and Docking in Virtual Screening
Vazquez, Javier; Deplano, Alessandro; Herrero, Albert; Gibert, Enric; Herrero, Enric; Luque, F. Javier
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2020)
DOI /
10.1021/acs.jcim.9b01191
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19
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From virtual screening hits targeting a cryptic pocket in BACE-1 to a nontoxic brain permeable multitarget anti-Alzheimer lead with disease-modifying and cognition-enhancing effects
Pont, Caterina; Ginex, Tiziana; Grinan-Ferre, Christian; Scheiner, Matthias; Mattellone, Alexia; Martinez, Noemi; Arce, Elsa M.; Soriano-Fernandez, Yolanda; Naldi, Marina; De Simone, Angela; Barenys, Marta; Gomez-Catalan, Jesus; Perez, Belen; Sabate, Raimo
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
0223-5234 (2021)
DOI /
10.1016/j.ejmech.2021.113779
Hybrid
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14
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Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen
Vazquez, Javier; Deplano, Alessandro; Herrero, Albert; Ginex, Tiziana; Gibert, Enric; Rabal, Obdulia; Oyarzabal, Julen; Herrero, Enric; Javier Luque, F.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2018)
DOI /
10.1021/acs.jcim.8b00216
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8
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N-benzyl 4,4-disubstituted piperidines as a potent class of influenza H1N1 virus inhibitors showing a novel mechanism of hemagglutinin fusion peptide interaction
De Castro, Sonia; Ginex, Tiziana; Vanderlinden, Evelien; Laporte, Manon; Stevaert, Annelies; Cumella, Jose; Gago, Federico; Jose Camarasa, Maria; Javier Luque, F.; Naesens, Lieve; Velazquez, Sonsoles
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
0223-5234 (2020)
DOI /
10.1016/j.ejmech.2020.112223
Green accepted
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9
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Article
HIV-1 Envelope Spike MPER: From a Vaccine Target to a New Druggable Pocket for Novel and Effective Fusion Inhibitors
Luque, Francisco Javier; Camarasa, Maria-Jose
CHEMMEDCHEM
1860-7179 (2020)
DOI /
10.1002/cmdc.202000411
Mentions
10
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Article
Thermal Stability of Globins: Implications of Flexibility and Heme Coordination Studied by Molecular Dynamics Simulations
Julio Plana, Laia; Nadra, Alejandro D.; Estrin, Dario A.; Javier Luque, F.; Capece, Luciana
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2019)
DOI /
10.1021/acs.jcim.8b00840
Green published
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9
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Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations
Bonatto, Vinicius; Shamim, Anwar; Rocho, Fernanda Dos R.; Leitao, Andrei; Luque, F. Javier; Lameira, Jeronimo; Montanari, Carlos A.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2021)
DOI /
10.1021/acs.jcim.1c00515
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7
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Aniline-Based Inhibitors of Influenza H1N1 Virus Acting on Hemagglutinin-Mediated Fusion
Leiva, Rosana; Barniol-Xicota, Marta; Codony, Sandra; Ginex, Tiziana; Vanderlinden, Evelien; Montes, Marta; Caffrey, Michael; Javier Luque, F.; Naesens, Lieve; Vazquez, Santiago
JOURNAL OF MEDICINAL CHEMISTRY
0022-2623 (2018)
DOI /
10.1021/acs.jmedchem.7b00908
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2
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Pharmacology and preclinical validation of a novel anticancer compound targeting PEPCK-M
Arago, Marc; Moreno-Felici, Juan; Abas, Sonia; Rodriguez-Arevalo, Sergio; Hyrossova, Petra; Figueras, Agnes; Vinals, Francesc; Perez, Belen; Loza, Maria, I; Brea, Jose; Latorre, Pedro; Carrodeguas, Jose A.; Garcia-Roves, Pablo M.; Galdeano, Carlos; Ginex,
BIOMEDICINE & PHARMACOTHERAPY
0753-3322 (2020)
DOI /
10.1016/j.biopha.2019.109601
Gold other
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1
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Design, synthesis and in vivo study of novel pyrrolidine-based 11 beta-HSD1 inhibitors for age-related cognitive dysfunction
Leiva, Rosana; Grinan-Ferre, Christian; Seira, Constanti; Valverde, Elena; McBride, Andrew; Binnie, Margaret; Perez, Belen; Javier Luque, F.; Pallas, Merce; Bidon-Chanal, Axel; Webster, Scott P.; Vazquez, Santiago
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
0223-5234 (2017)
DOI /
10.1016/j.ejmech.2017.08.003
Green submitted
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2
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Article
Understanding the Mechanism of Direct Activation of AMP-Kinase: Toward a Fine Allosteric Tuning of the Kinase Activity
Aledavood, Elnaz; Moraes, Gleiciane; Lameira, Jeronimo; Castro, Ana; Javier Luque, F.; Estarellas, Carolina
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2019)
DOI /
10.1021/acs.jcim.8b00890
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1
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Review
Lipophilicity in drug design: an overview of lipophilicity descriptors in 3D-QSAR studies
Ginex, Tiziana; Vazquez, Javier; Gilbert, Enric; Herrero, Enric; Luque, Francisco J.
FUTURE MEDICINAL CHEMISTRY
1756-8919 (2019)
DOI /
10.4155/fmc-2018-0435
Green accepted
Mentions
1
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Article
Exploiting the Tolerant Region I of the Non-Nucleoside Reverse Transcriptase Inhibitor (NNRTI) Binding Pocket: Discovery of Potent Diarylpyrimidine-Typed HIV-1 NNRTIs against Wild-Type and E138K Mutant Virus with Significantly Improved Water Solubility and
Huang, Boshi; Chen, Wenmin; Zhao, Tong; Li, Zhenyu; Jiang, Xiangyi; Ginex, Tiziana; Vilchez, David; Luque, Francisco Javier; Kang, Dongwei; Gao, Ping; Zhang, Jian; Tian, YE; Daelemans, Dirk; De Clercq, Erik; Pannecouque, Christophe; Zhan, Peng; Liu, Xinyon
JOURNAL OF MEDICINAL CHEMISTRY
0022-2623 (2019)
DOI /
10.1021/acs.jmedchem.8b01729
Mentions
2
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Pharmacological tools based on imidazole scaffold proved the utility of PDE10A inhibitors for Parkinson's disease
Garcia, Ana M.; Salado, Irene G.; Perez, Daniel I.; Brea, Jose; Morales-Garcia, Jose A.; Gonzalez-Garcia, Alejandro; Cadavid, MariaIsabel; Isabel Loza, Maria; Javier Luque, Francisco; Perez-Castillo, Ana; Martinez, ANA; Gil, Carmen
FUTURE MEDICINAL CHEMISTRY
1756-8919 (2017)
DOI /
10.4155/fmc-2017-0005
