J
José L. Medina-Franco
Researcher at National Autonomous University of Mexico
Publications - 301
Citations - 8748
José L. Medina-Franco is an academic researcher from National Autonomous University of Mexico. The author has contributed to research in topics: Chemical space & Docking (molecular). The author has an hindex of 42, co-authored 275 publications receiving 7091 citations. Previous affiliations of José L. Medina-Franco include Torrey Pines Institute for Molecular Studies & University of Arizona.
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Shifting from the single to the multitarget paradigm in drug discovery.
TL;DR: The concepts of drug repurposing, polypharmacology, chemogenomics, phenotypic screening and high-throughput in vivo testing of mixture-based libraries in an integrated manner are discussed.
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Recognizing Pitfalls in Virtual Screening: A Critical Review
Thomas Scior,Andreas Bender,Gary Tresadern,José L. Medina-Franco,Karina Martinez-Mayorga,Thierry Langer,Karina Cuanalo-Contreras,Dimitris K. Agrafiotis +7 more
TL;DR: This review attempts to catalogue published and unpublished problems, shortcomings, failures, and technical traps of VS methods with the aim to avoid pitfalls by making the user aware of them in the first place.
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How to recognize and workaround pitfalls in QSAR studies: a critical review.
Thomas Scior,José L. Medina-Franco,Quoc-Tuan Do,Karina Martinez-Mayorga,J. A. Yunes Rojas,Philippe Bernard +5 more
TL;DR: Prerequisites to set up correct models and on limitations of model applications are described and illustrated as pitfalls that have strong implications in QSAR, and possible solutions are suggested.
Journal ArticleDOI
Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation.
TL;DR: These are the first small molecules reported with biochemical selectivity towards an individual DNMT enzyme capable of binding in the same pocket as the native substrate cytosine, and are promising candidates for further rational optimization and development as anticancer drugs.
Journal ArticleDOI
Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs.
José L. Medina-Franco,Karina Martinez-Mayorga,Andreas Bender,Ray M. Marín,Marc A. Giulianotti,Clemencia Pinilla,Richard A. Houghten +6 more
TL;DR: Results for the current test case suggest that the presence or absence of a methoxybenzyl group may lead to different modes of binding for the active BCGs with the kappa-opioid receptor.