Oscar Méndez-Lucio
Oscar Méndez-Lucio
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De novo generation of hit-like molecules from gene expression signatures using artificial intelligence
O Méndez-Lucio, B Baillif, DA Clevert, D Rouquié, J Wichard
Nature Communications 11 (1), 1-10, 2020
Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
I Cortés-Ciriano, QU Ain, V Subramanian, EB Lenselink, O Méndez-Lucio, ...
MedChemComm 6 (1), 24-50, 2015
The many roles of molecular complexity in drug discovery
O Méndez-Lucio, JL Medina-Franco
Drug Discovery Today 22 (1), 120-126, 2017
Lysine harvesting is an antioxidant strategy and triggers underground polyamine metabolism
V Olin-Sandoval, JSL Yu, L Miller-Fleming, MT Alam, S Kamrad, ...
Nature, 1, 2019
Toward Drug Repurposing in Epigenetics: Olsalazine as a Hypomethylating Compound Active in a Cellular Context
O Méndez‐Lucio, J Tran, JL Medina‐Franco, N Meurice, M Muller
ChemMedChem 9 (3), 560-565, 2014
Molecular basis for benzimidazole resistance from a novel β-tubulin binding site model
R Aguayo-Ortiz, O Méndez-Lucio, A Romo-Mancillas, R Castillo, ...
Journal of Molecular Graphics and Modelling 45, 26-37, 2013
Synthesis and antiprotozoal activity of novel 2-{[2-(1H-imidazol-1-yl) ethyl] sulfanyl}-1H-benzimidazole derivatives
J Pérez-Villanueva, A Hernández-Campos, L Yépez-Mulia, ...
Bioorganic & medicinal chemistry letters 23 (14), 4221-4224, 2013
Discovery and development of DNA methyltransferase inhibitors using in silico approaches
JL Medina-Franco, O Méndez-Lucio, A Dueñas-González, J Yoo
Drug discovery today 20 (5), 569-577, 2015
Chemoinformatic expedition of the chemical space of fungal products
M González-Medina, FD Prieto-Martínez, JJ Naveja, O Méndez-Lucio, ...
Future Medicinal Chemistry 8 (12), 1399-1412, 2016
Towards the identification of the binding site of benzimidazoles to β-tubulin of Trichinella spiralis: insights from computational and experimental data
R Aguayo-Ortiz, O Méndez-Lucio, JL Medina-Franco, R Castillo, ...
Journal of Molecular Graphics and Modelling 41, 12-19, 2013
Identifying activity cliff generators of PPAR ligands using SAS maps
O Méndez‐Lucio, J Pérez‐Villanueva, R Castillo, JL Medina‐Franco
Molecular Informatics 31 (11‐12), 837-846, 2012
A chemical space odyssey of inhibitors of histone deacetylases and bromodomains
FD Prieto-Martínez, E Fernández-de Gortari, O Méndez-Lucio, ...
RSC Advances 6 (61), 56225-56239, 2016
Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation …
QU Ain, O Méndez-Lucio, IC Ciriano, T Malliavin, GJP van Westen, ...
Integrative Biology 6 (11), 1023-1033, 2014
One Drug for Multiple Targets: A Computational Perspective
O Méndez-Lucio, JJ Naveja, H Vite-Caritino, FD Prieto-Martínez, ...
Journal of the Mexican Chemical Society 60 (3), 2016
The interplay between molecular modeling and chemoinformatics to characterize protein–ligand and protein–protein interactions landscapes for drug discovery
JL Medina-Franco, O Méndez-Lucio, K Martinez-Mayorga
Advances in protein chemistry and structural biology 96, 1-37, 2014
Rationalization of activity cliffs of a sulfonamide inhibitor of DNA methyltransferases with induced-fit docking
JL Medina-Franco, O Méndez-Lucio, J Yoo
International journal of molecular sciences 15 (2), 3253-3261, 2014
Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors
D De Lucia, O Méndez Lucio, B Musio, A Bender, M Listing, S Dennhardt, ...
European Journal of Medicinal Chemistry 101, 573–583, 2015
Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening
S Paricharak, O Méndez-Lucio, AC Ravindranath, A Bender, AP IJzerman, ...
Briefings in Bioinformatics, bbw105, 2016
Activity cliffs and activity cliff generators based on chemotype-related activity landscapes
J Pérez-Villanueva, O Méndez-Lucio, O Soria-Arteche, JL Medina-Franco
Molecular diversity 19 (4), 1021-1035, 2015
Analyzing Multitarget Activity Landscapes Using Protein–Ligand Interaction Fingerprints: Interaction Cliffs
O Méndez-Lucio, AJ Kooistra, C Graaf, A Bender, JL Medina-Franco
Journal of chemical information and modeling 55 (2), 251-262, 2015
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