J. Medina‐Franco

发表

Scaffold Diversity of Fungal Metabolites

José L. Medina-Franco, Mariana González-Medina, Nicholas H. Oberlies, 2017, Front. Pharmacol..

DiaNat-DB: a molecular database of antidiabetic compounds from medicinal plants

J. Medina-Franco, J. J. Naveja, K. Martínez-Mayorga, 2021, RSC advances.

Chemoinformatics-applications in food chemistry.

Karina Martinez-Mayorga, J. Medina-Franco, K. Martínez-Mayorga, 2009, Advances in food and nutrition research.

Synthesis of NSC 106084 and NSC 14778 and evaluation of their DNMT inhibitory activity.

J. Medina-Franco, S. LaPlante, A. Gagnon, 2019, Bioorganic & medicinal chemistry letters.

Discovery and development of DNA methyltransferase inhibitors using in silico approaches.

J. Medina-Franco, O. Méndez-Lucio, A. Dueñas-González, 2015, Drug discovery today.

Toward Drug Repurposing in Epigenetics: Olsalazine as a Hypomethylating Compound Active in a Cellular Context

J. Medina-Franco, O. Méndez-Lucio, M. Muller, 2014, ChemMedChem.

Molecular Modeling Studies of the Novel Inhibitors of DNA Methyltransferases SGI-1027 and CBC12: Implications for the Mechanism of Inhibition of DNMTs

José L. Medina-Franco, Sun Choi, J. Medina-Franco, 2013, PloS one.

Docking of a novel DNA methyltransferase inhibitor identified from high-throughput screening: insights to unveil inhibitors in chemical databases

Jakyung Yoo, J. Medina‐Franco, 2013, Molecular diversity.

DNA Methyltransferase Inhibitors for Cancer Therapy

J. Medina-Franco, A. Dueñas-González, Jakyung Yoo, 2015 .

Molecular Modeling and Molecular Dynamics Studies of Hydralazine with Human DNA Methyltransferase 1

J. Medina-Franco, A. Dueñas-González, F. Lyko, 2009, ChemMedChem.

Resveratrol-salicylate derivatives as selective DNMT3 inhibitors and anticancer agents

J. Medina-Franco, M. Luo, Jakyung Yoo, 2016, Journal of enzyme inhibition and medicinal chemistry.

How to Valorize Biodiversity? Letʼs Go Hashing, Extracting, Filtering, Mining, Fishing

José L Medina-Franco, Thomas Scior, Quoc Tuan Do, 2015, Planta Medica.

Rationalization of Activity Cliffs of a Sulfonamide Inhibitor of DNA Methyltransferases with Induced-Fit Docking

J. Medina-Franco, O. Méndez-Lucio, Jakyung Yoo, 2014, International journal of molecular sciences.

Drug Repurposing for Epigenetic Targets Guided by Computational Methods

J. Medina-Franco, J. J. Naveja, A. Dueñas-González, 2016 .

Molecular Modeling and Chemoinformatics to Advance the Development of Modulators of Epigenetic Targets: A Focus on DNA Methyltransferases.

J. Medina-Franco, O. Méndez-Lucio, F. D. Prieto-Martínez, 2016, Advances in protein chemistry and structural biology.

Molecular modeling and virtual screening of DNA methyltransferase inhibitors.

J. Medina-Franco, Jakyung Yoo, J. Medina‐Franco, 2013, Current pharmaceutical design.

Towards the chemoinformatic-based identification of DNA methyltransferase inhibitors: 2D- and 3D-similarity profile of screening libraries.

J. Medina-Franco, Jakyung Yoo, J. Medina‐Franco, 2012, Current computer-aided drug design.

Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products

José L. Medina-Franco, Karina Martínez-Mayorga, Alberto Del Rio, 2012, PloS one.

Molecular Scaffold Analysis of Natural Products Databases in the Public Domain

José L Medina-Franco, Austin B. Yongye, Jacob Waddell, 2012, Chemical biology & drug design.

Scanning Structure-Activity Relationships with Structure-Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches

José L. Medina-Franco, J. Medina-Franco, J. Medina‐Franco, 2012, J. Chem. Inf. Model..

Expanding the medicinally relevant chemical space with compound libraries.

J. Medina-Franco, M. Giulianotti, R. Houghten, 2012, Drug discovery today.

Inhibitors of DNA methyltransferases: insights from computational studies.

J. Medina-Franco, J. Yoo, J. Medina‐Franco, 2012, Current medicinal chemistry.

Molecular Modeling of Inhibitors of Human DNA Methyltransferase with a Crystal Structure

J. Medina-Franco, K. Robertson, Jakyung Yoo, 2012, Advances in Protein Chemistry and Structural Biology.

Homology modeling, docking and structure-based pharmacophore of inhibitors of DNA methyltransferase

José L. Medina-Franco, Jakyung Yoo, J. Medina-Franco, 2011, J. Comput. Aided Mol. Des..

Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations

José L. Medina-Franco, Kendall G. Byler, Austin B. Yongye, 2011, J. Chem. Inf. Model..

Advances in the computational development of DNA methyltransferase inhibitors.

J. Medina-Franco, T. Caulfield, J. Medina‐Franco, 2011, Drug discovery today.

Nanaomycin A Selectively Inhibits DNMT3B and Reactivates Silenced Tumor Suppressor Genes in Human Cancer Cells

J. Medina-Franco, F. Lyko, T. Caulfield, 2010, Molecular Cancer Therapeutics.

Docking of Protein Kinase B Inhibitors: Implications in the Structure‐Based Optimization of a Novel Scaffold

J. Medina-Franco, M. Giulianotti, R. Castillo, 2010, Chemical biology & drug design.

Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation.

J. Medina-Franco, F. Lyko, Narender Singh, 2010, Bioorganic & medicinal chemistry.

The prince and the pauper. A tale of anticancer targeted agents

J. Medina-Franco, A. Dueñas-González, L. Herrera, 2008, Molecular Cancer.

Statistical-based database fingerprint: chemical space dependent representation of compound databases

José L. Medina-Franco, Norberto Sánchez-Cruz, J. Medina-Franco, 2018, Journal of Cheminformatics.

Antihyperglycemic and sub-chronic antidiabetic actions of morolic and moronic acids, in vitro and in silico inhibition of 11β-HSD 1.

J. Medina-Franco, Fabian López-Vallejo, M. Binnie, 2013, Phytomedicine : international journal of phytotherapy and phytopharmacology.

Synthesis and biochemical evaluation of δ(2)-isoxazoline derivatives as DNA methyltransferase 1 inhibitors.

J. Medina-Franco, G. Sbardella, Fabian López-Vallejo, 2010, Journal of medicinal chemistry.

Current Pharmaceutical Biotechnology

O. A. Stirban, P. Kempler, E. López-López, 2022 .

Diversity and Chemical Library Networks of Large Data Sets

J. Medina-Franco, G. Seabra, R. Miranda‐Quintana, 2021, J. Chem. Inf. Model..

Yes SIR! On the structure-inactivity relationships in drug discovery.

J. Medina-Franco, E. Fernández-de Gortari, E. López-López, 2022, Drug discovery today.

A cell-based fascin bioassay identifies compounds with potential anti-metastasis or cognition-enhancing functions

J. Medina-Franco, G. Maggiora, Kobus Barnard, 2012, Disease Models & Mechanisms.

Insights from pharmacological similarity of epigenetic targets in epipolypharmacology.

José L Medina-Franco, J Jesús Naveja, J. Naveja, 2018, Drug discovery today.

Recognizing Pitfalls in Virtual Screening: A Critical Review

Andreas Bender, Dimitris K. Agrafiotis, Thierry Langer, 2012, J. Chem. Inf. Model..

Shifting from the single to the multitarget paradigm in drug discovery.

J. Medina-Franco, M. Giulianotti, G. Welmaker, 2013, Drug discovery today.

Visualization of Molecular Fingerprints

José L. Medina-Franco, Ian T. Nabney, John R. Owen, 2011, J. Chem. Inf. Model..

Chemoinformatic expedition of the chemical space of fungal products.

José L Medina-Franco, J Jesús Naveja, Mariana González-Medina, 2016, Future medicinal chemistry.

Insights into the structure and inhibition of Giardia intestinalis arginine deiminase: homology modeling, docking, and molecular dynamics studies

J. Medina-Franco, R. Castillo, A. Hernández-Campos, 2016, Journal of biomolecular structure & dynamics.

How to recognize and workaround pitfalls in QSAR studies: a critical review.

T Scior, J L Medina-Franco, Q-T Do, 2009, Current medicinal chemistry.

Integrating virtual and biochemical screening for protein tyrosine phosphatase inhibitor discovery.

José L Medina-Franco, Nathalie Meurice, Pooja Narang, 2014, Methods.

The interplay between molecular modeling and chemoinformatics to characterize protein-ligand and protein-protein interactions landscapes for drug discovery.

José L Medina-Franco, Karina Martinez-Mayorga, Oscar Méndez-Lucio, 2014, Advances in protein chemistry and structural biology.

Discovery and Development of Lead Compounds from Natural Sources Using Computational Approaches

J. Medina-Franco, J. Medina‐Franco, 2015 .

Molecular docking : current advances and challenges

J. Medina-Franco, Marcelino Arciniega, F. D. Prieto-Martínez, 2018 .

Progress and Impact of Latin American Natural Product Databases

J. Medina-Franco, Alejandro Gómez-García, J. Medina‐Franco, 2022, Biomolecules.

Benzotriazoles and Indazoles Are Scaffolds with Biological Activity against Entamoeba histolytica

José L. Medina-Franco, Fabian López-Vallejo, Rafael Castillo, 2011, Journal of biomolecular screening.

The many roles of molecular complexity in drug discovery.

José L Medina-Franco, Oscar Méndez-Lucio, J. Medina-Franco, 2017, Drug discovery today.

Synthesis of 2-{2-[(α/β-naphthalen-1-ylsulfonyl)amino]-1,3-thiazol-4-yl} acetamides with 11β-hydroxysteroid dehydrogenase inhibition and in combo antidiabetic activities.

J. Medina-Franco, Fabian López-Vallejo, M. Binnie, 2014, European journal of medicinal chemistry.

Antidiabetic activity of N-(6-substituted-1,3-benzothiazol-2-yl)benzenesulfonamides.

J. Medina-Franco, R. Villalobos-Molina, M. Binnie, 2008, Bioorganic & medicinal chemistry letters.

Developmental DNA methyltransferase inhibitors in the treatment of gynecologic cancers

J. Medina-Franco, A. Dueñas-González, A. Chávez-Blanco, 2016, Expert opinion on pharmacotherapy.

Introduction of Epigenetic Targets in Drug Discovery and Current Status of Epi-Drugs and Epi-Probes

J. Medina-Franco, J. J. Naveja, A. Dueñas-González, 2016 .

MOLECULAR SIMILARITY ANALYSIS

José L. Medina-Franco, J. Medina-Franco, G. Maggiora, 2013 .

Activity-difference maps and consensus similarity measure characterize structure-activity relationships

José L. Medina-Franco, Jaime Pérez-Villanueva, Austin B. Yongye, 2012, Journal of Cheminformatics.

Chemoinformatic Characterization of Synthetic Screening Libraries Focused on Epigenetic Targets

José L. Medina-Franco, Ramón Alain Miranda-Quintana, K. Eurídice Juárez-Mercado, 2021, Molecular informatics.

Systematic Extraction of Analogue Series from Large Compound Collections Using a New Computational Compound–Core Relationship Method

J. Jesús Naveja, José L. Medina-Franco, Jürgen Bajorath, 2019, ACS omega.

Cheminformatics analysis of molecular datasets of transcription factors associated with quorum sensing in Pseudomonas aeruginosa

J. Medina-Franco, Fabian López-Vallejo, Norberto Sánchez-Cruz, 2021, RSC advances.

Chemoselective fluorination and chemoinformatic analysis of griseofulvin: Natural vs fluorinated fungal metabolites.

José L Medina-Franco, Mariana González-Medina, Nicholas H Oberlies, 2017, Bioorganic & medicinal chemistry.

Single Nucleotide Polymorphisms in the Promoter Region of the E-cadherin Gene in Gastric Cancer: Case-Control Study in a Young Mexican Population

J. Medina-Franco, H. Medina-Franco, Antonio Ramos-De la Medina, 2007, Annals of Surgical Oncology.

Transient pockets on XIAP-BIR2: toward the characterization of putative binding sites of small-molecule XIAP inhibitors

Volkhard Helms, José L. Medina-Franco, Susanne Eyrisch, 2012, Journal of Molecular Modeling.

Chemical Space and Diversity of the NuBBE Database: A Chemoinformatic Characterization.

José L. Medina-Franco, Fernanda I. Saldívar-González, Adriano D. Andricopulo, 2018, Journal of chemical information and modeling.

Epigenetic Target Fishing with Accurate Machine Learning Models.

J. Medina-Franco, Norberto Sánchez-Cruz, J. Medina‐Franco, 2021, Journal of medicinal chemistry.

Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules

José L. Medina-Franco, Norberto Sánchez-Cruz, Norberto Sánchez-Cruz, 2021, J. Chem. Inf. Model..

Chemoinformatic Analysis of Isothiocyanates: Their Impact in Nature and Medicine

Mayra Antúnez-Mojica, Araceli Guerrero-Alonso, J. Medina‐Franco, 2021, Molecular informatics.

Finding Constellations in Chemical Space Through Core Analysis

J. Jesús Naveja, José L. Medina-Franco, J. Medina-Franco, 2019, Front. Chem..

Clemencia Pinilla, José L Medina-Franco, Gerald M Maggiora, 2007, Chemical biology & drug design.

Density Functional Theory and Electrochemical Studies: Structure-Efficiency Relationship on Corrosion Inhibition

José L. Medina-Franco, Rosa L. Camacho-Mendoza, Evelin Gutiérrez-Moreno, 2015, J. Chem. Inf. Model..

Dimeric phenalenones from Talaromyces sp. (IQ-313) inhibit hPTP1B1-400: Insights into mechanistic kinetics from in vitro and in silico studies.

J. Medina-Franco, J. Rivera-Chávez, M. González-Andrade, 2020, Bioorganic chemistry.

Editorial: In silico Methods for Drug Design and Discovery

Simone Brogi, José L. Medina-Franco, Kamil Kuca, 2020, Frontiers in Chemistry.

Molecular basis for benzimidazole resistance from a novel β-tubulin binding site model.

J. Medina-Franco, O. Méndez-Lucio, R. Castillo, 2013, Journal of molecular graphics & modelling.

Conformation-opioid activity relationships of bicyclic guanidines from 3D similarity analysis.

Clemencia Pinilla, Karina Martínez-Mayorga, Marc A Giulianotti, 2008, Bioorganic & medicinal chemistry.

Cheminformatics Explorations of Natural Products.

J. Medina-Franco, F. D. Prieto-Martínez, U. Norinder, 2019, Progress in the chemistry of organic natural products.

Quantitative Structure–activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the k Nearest Neighbor Method and QSAR-based Database Mining

Alexander Golbraikh, Alexander Tropsha, José L. Medina-Franco, 2005, J. Comput. Aided Mol. Des..

Recent progress on cheminformatics approaches to epigenetic drug discovery.

Vinicius M. Alves, J. Medina-Franco, A. Tropsha, 2020, Drug discovery today.

Database fingerprint (DFP): an approach to represent molecular databases

José L. Medina-Franco, Karina Martinez-Mayorga, César R. García-Jacas, 2017, Journal of Cheminformatics.

A comparative study of flavonoid analogues on streptozotocin-nicotinamide induced diabetic rats: quercetin as a potential antidiabetic agent acting via 11beta-hydroxysteroid dehydrogenase type 1 inhibition.

J. Medina-Franco, R. Villalobos-Molina, Narender Singh, 2010, European journal of medicinal chemistry.

Discovery of a novel protein kinase B inhibitor by structure-based virtual screening.

Yongping Yu, Marc A Giulianotti, J. Medina-Franco, 2009, Bioorganic & medicinal chemistry letters.

Integrating virtual screening and combinatorial chemistry for accelerated drug discovery.

Fabian López-Vallejo, Karina Martínez-Mayorga, Adel Nefzi, 2011, Combinatorial chemistry & high throughput screening.

Chapter 23 Discovery and development of lead compounds from natural sources using computational approaches

J. Medina-Franco, Ana L. Chávez‐Hernández, E. A. Flores-Padilla, 2022, Evidence-Based Validation of Herbal Medicine.

7-Aminoalkoxy-Quinazolines from Epigenetic Focused Libraries Are Potent and Selective Inhibitors of DNA Methyltransferase 1

J. Medina-Franco, E. López-López, Liliam P. Martínez-Fernández, 2022, Molecules.

Bridging informatics and medicinal inorganic chemistry: toward a database of metallodrugs and metallodrug candidates.

J. Medina-Franco, L. Ruiz-Azuara, J. Zuegg, 2022, Drug discovery today.

Latin American databases of natural products: biodiversity and drug discovery against SARS-CoV-2

J. Medina-Franco, D. Olmedo, Bárbara I. Díaz-Eufracio, 2021, RSC advances.

Expanding the Structural Diversity of DNA Methyltransferase Inhibitors

J. Medina-Franco, D. Prada-Gracia, F. D. Prieto-Martínez, 2020, Pharmaceuticals.

DNA Methyltransferase Inhibitors with Novel Chemical Scaffolds

J. Medina-Franco, D. Prada-Gracia, F. D. Prieto-Martínez, 2020 .

Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease

J. Medina-Franco, F. D. Prieto-Martínez, Norberto Sánchez-Cruz, 2020, RSC advances.

Metronidazole and Secnidazole Carbamates: Synthesis, Antiprotozoal Activity, and Molecular Dynamics Studies

J. Medina-Franco, F. D. Prieto-Martínez, R. Moo-Puc, 2020, Molecules.

Activity Landscape and Molecular Modeling to Explore the SAR of Dual Epigenetic Inhibitors: A Focus on G9a and DNMT1

José L Medina-Franco, Edgar López-López, J. Medina-Franco, 2018, Molecules.

Inhibitors of HMG-CoA Reductase: Current and Future Prospects.

J. Medina-Franco, J. Tamariz, Narender Singh, 2009, Mini reviews in medicinal chemistry.

Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of some benzimidazole derivatives with trichomonicidal activity.

Jaime Pérez-Villanueva, José L Medina-Franco, Rafael Castillo, 2011, European journal of medicinal chemistry.

In Silico ADME/Tox Profiling of Natural Products: A Focus on BIOFACQUIM

J. Medina-Franco, Noemi Angeles Durán-Iturbide, Bárbara I. Díaz-Eufracio, 2020, ACS omega.

Methyl benzoate and cinnamate analogs as modulators of DNA methylation in hepatocellular carcinoma

J. Medina-Franco, L. Alvarez, K. E. Juárez-Mercado, 2022, Chemical biology & drug design.

Synthesis, in vitro and computational studies of protein tyrosine phosphatase 1B inhibition of a small library of 2-arylsulfonylaminobenzothiazoles with antihyperglycemic activity.

J. Medina-Franco, P. Paoli, G. Camici, 2009, Bioorganic & medicinal chemistry.

Antidiabetic activity of some pentacyclic acid triterpenoids, role of PTP-1B: in vitro, in silico, and in vivo approaches.

J. Medina-Franco, P. Paoli, G. Camici, 2011, European journal of medicinal chemistry.

Pyridin‐2(1H)‐ones: A Promising Class of HIV‐1 Non‐nucleoside Reverse Transcriptase Inhibitors

J. Medina-Franco, K. Martínez-Mayorga, R. Castillo, 2007, ChemMedChem.

Chemical space of naturally occurring compounds

José L. Medina-Franco, Fernanda I. Saldívar-González, B. Angélica Pilón-Jiménez, 2018, Physical Sciences Reviews.

Grand Challenges of Computer-Aided Drug Design: The Road Ahead

José L. Medina-Franco, J. Medina-Franco, J. Medina‐Franco, 2021, Frontiers in Drug Discovery.

Towards Decoding Hepatotoxicity of Approved Drugs through Navigation of Multiverse and Consensus Chemical Spaces

J. Medina-Franco, E. López-López, J. Medina‐Franco, 2023, Biomolecules.

Towards uncoding hepatotoxicity of approved drugs through navigation of multiverse and consensus chemical spaces

E. López-López, J. Medina‐Franco, 2022 .

Activity landscape analysis of novel 5$$\upalpha $$α-reductase inhibitors

J. Medina-Franco, J. J. Naveja, Francisco Cortés-Benítez, 2016, Molecular Diversity.

Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository

Rajarshi Guha, José L. Medina-Franco, Richard A. Houghten, 2009, J. Chem. Inf. Model..

ADVANCES IN COMPUTATIONAL APPROACHES FOR DRUG DISCOVERY BASED ON NATURAL PRODUCTS

José L. Medina-Franco, J. Medina‐Franco, 2013 .

Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds

Tudor I. Oprea, Fernanda I. Saldívar-González, Ana L. Chávez-Hernández, 2022, Journal of Cheminformatics.

Design, synthesis and evaluation of the antibacterial activity of new Linezolid dipeptide-type analogues.

J. Medina-Franco, R. Laniado-Laborín, A. Ochoa-Terán, 2019, Bioorganic chemistry.

A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization

Norberto Sánchez-Cruz, Jose Luis Medina-Franco, Ana L Chávez-Hernández, 2020, Molecular informatics.

Flavonoids as Putative Epi-Modulators: Insight into Their Binding Mode with BRD4 Bromodomains Using Molecular Docking and Dynamics

J. Medina-Franco, F. D. Prieto-Martínez, J. Medina‐Franco, 2018, Biomolecules.

Platform for Unified Molecular Analysis: PUMA

M. González-Medina, J. Medina‐Franco, 2017, Journal of Chemical Information and Modeling.

Progress on open chemoinformatic tools for expanding and exploring the chemical space

J. Medina-Franco, Norberto Sánchez-Cruz, E. López-López, 2021, Journal of Computer-Aided Molecular Design.

Chemoinformatics-based enumeration of chemical libraries: a tutorial

José L. Medina-Franco, Fernanda I. Saldívar-González, C. Sebastian Huerta-García, 2020, Journal of Cheminformatics.

Chemical space and diversity of seaweed metabolite database (SWMD): A cheminformatics study.

J. Medina-Franco, T. El-Elimat, Ahmed H. Al Sharie, 2020, Journal of molecular graphics & modelling.

D‐Peptide Builder: A Web Service to Enumerate, Analyze, and Visualize the Chemical Space of Combinatorial Peptide Libraries

Bárbara I Díaz-Eufracio, Oscar Palomino-Hernández, Aarón Arredondo-Sánchez, 2020, Molecular informatics.

The impact of chemoinformatics on drug discovery in the pharmaceutical industry

Gerald Maggiora, Karina Martinez-Mayorga, Abraham Madariaga-Mazon, 2020, Expert opinion on drug discovery.

Chemical Diversity of Cyanobacterial Compounds: A Chemoinformatics Analysis

M. González-Medina, J. Medina‐Franco, 2019, ACS Omega.

DataWarrior: an evaluation of the open-source drug discovery tool

José L Medina-Franco, J Jesús Naveja, Edgar López-López, 2019, Expert opinion on drug discovery.

Chemoinformatics: a perspective from an academic setting in Latin America

José L Medina-Franco, J Jesús Naveja, C Iluhí Oviedo-Osornio, 2017, Molecular Diversity.

Open chemoinformatic resources to explore the structure, properties and chemical space of molecules

J. Jesús Naveja, José L. Medina-Franco, Norberto Sánchez-Cruz, 2017 .

Chemoinformatics approaches to assess chemical diversity and complexity of small molecules

José L. Medina-Franco, Fernanda I. Saldívar-González, J. Medina‐Franco, 2020 .

Cheminformatics Approaches to Study Drug Polypharmacology

J. Jesús Naveja, Norberto Sánchez-Cruz, Fernanda I. Saldívar-González, 2018 .

Computational Methods to Discover Compounds for the Treatment of Chagas Disease.

J. Medina-Franco, K. Rodríguez-Hernández, Oscar Palomino‐Hernández, 2018, Advances in protein chemistry and structural biology.

Activity Landscape Plotter: A Web-Based Application for the Analysis of Structure-Activity Relationships

José L. Medina-Franco, Oscar Méndez-Lucio, Mariana González-Medina, 2017, J. Chem. Inf. Model..

Consensus Diversity Plots: a global diversity analysis of chemical libraries

José L. Medina-Franco, Mariana González-Medina, Fernando D. Prieto-Martínez, 2016, Journal of Cheminformatics.

A chemical space odyssey of inhibitors of histone deacetylases and bromodomains

José L. Medina-Franco, Fernando D. Prieto-Martínez, Oscar Méndez-Lucio, 2016 .

Interrogating Novel Areas of Chemical Space for Drug Discovery using Chemoinformatics

José L. Medina-Franco, J. Medina-Franco, J. Medina‐Franco, 2012 .

Scaffold Diversity Analysis of Compound Data Sets Using an Entropy-Based Measure

José L. Medina-Franco, Andreas Bender, Thomas Scior, 2009 .

Foodinformatics: Applications of Chemical Information to Food Chemistry

J. Medina-Franco, K. Martínez-Mayorga, J. Jesús, 2014 .

Characterization of a comprehensive flavor database

Austin B. Yongye, José L. Medina-Franco, Marc A. Giulianotti, 2011 .

Molecular dynamics simulations of human DNA methyltransferase 3B with selective inhibitor nanaomycin A.

José L. Medina-Franco, J. Medina-Franco, T. Caulfield, 2011, Journal of structural biology.

Progress in the Visualization and Mining of Chemical and Target Spaces

José L Medina-Franco, Rodrigo Aguayo-Ortiz, J. Medina-Franco, 2013, Molecular informatics.

Polypharmacology in Drug Discovery

J. Medina-Franco, J. J. Naveja, O. Méndez-Lucio, 2017 .

Yin-yang in drug discovery: rethinking de novo design and development of predictive models

Ana L. Chávez-Hernández, J. Medina-Franco, E. López-López, 2023, Frontiers in Drug Discovery.

Selective Agonists and Antagonists of Formylpeptide Receptors: Duplex Flow Cytometry and Mixture-Based Positional Scanning Libraries

Clemencia Pinilla, Susan M. Young, Bruce S Edwards, 2013, Molecular Pharmacology.

Selective agonists and antagonists of formylpeptide receptors: duplex flow cytometry and mixture-based positional scanning libraries

Susan M. Young, Radleigh G. Santos, J. Medina-Franco, 2013 .

A Synthetic Combinatorial Strategy for Developing α-Conotoxin Analogs as Potent α7 Nicotinic Acetylcholine Receptor Antagonists*

Richard A Houghten, J. Medina-Franco, R. Houghten, 2009, The Journal of Biological Chemistry.

A ROUGH SET THEORY APPROACH TO THE ANALYSIS OF GENE EXPRESSION PROFILES

José L. Medina-Franco, Nathalie Meurice, Joachim L. Petit, 2013 .

Inhibitors of DNA Methyltransferases From Natural Sources: A Computational Perspective

Fernanda I. Saldívar-González, J. Medina-Franco, Norberto Sánchez-Cruz, 2018, Front. Pharmacol..

1 Computational Approaches to Identify Natural 2 Products as Inhibitors of DNA Methyltransferases 3

Fernanda I. Saldívar-González, J. Medina-Franco, Norberto Sánchez-Cruz, 2018 .

A Selectively Inhibits DNMT 3 B and Reactivates Ther nced Tumor Suppressor Genes in Human Cancer Cells uck

J. Medina-Franco, F. Lyko, T. Caulfield, 2010 .

nced Tumor Suppressor Genes in Human Cancer Cells

J. Medina-Franco, F. Lyko, T. Caulfield, 2010 .

Ivermectin as an inhibitor of cancer stem‑like cells.

Fernanda I. Saldívar-González, J. Medina-Franco, A. Dueñas-González, 2017, Molecular medicine reports.

From flamingo dance to (desirable) drug discovery: a nature-inspired approach.

Stephan C Schürer, Maykel Cruz-Monteagudo, Fernanda Borges, 2017, Drug discovery today.

Design, synthesis, and docking of highly hypolipidemic agents: Schizosaccharomyces pombe as a new model for evaluating alpha-asarone-based HMG-CoA reductase inhibitors.

José L Medina-Franco, Nancy Argüelles, Eugenia Sánchez-Sandoval, 2010, Bioorganic & medicinal chemistry.

Molecular docking of the highly hypolipidemic agent alpha-asarone with the catalytic portion of HMG-CoA reductase.

J. Medina-Franco, J. Tamariz, Fabian López-Vallejo, 2005, Bioorganic & medicinal chemistry letters.

Potential Anticancer Activity of Pomegranate (Punica granatum L.) Fruits of Different Color: In Vitro and In Silico Evidence

J. Medina-Franco, A. Wall-Medrano, Elisa Dufoo-Hurtado, 2022, Biomolecules.

Protein-Protein Interaction Modulators for Epigenetic Therapies.

J. Medina-Franco, J. J. Naveja, Bárbara I. Díaz-Eufracio, 2018, Advances in protein chemistry and structural biology.

Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery.

J. Medina-Franco, M. Cruz-Monteagudo, E. Tejera, 2017, Drug discovery today.

Computational methods for the discovery of mood disorder therapies

José L Medina-Franco, Fabian López-Vallejo, Karina Martínez-Mayorga, 2011, Expert opinion on drug discovery.

Identification, structure-activity relationships and molecular modeling of potent triamine and piperazine opioid ligands.

Austin B. Yongye, Karina Martínez-Mayorga, Adel Nefzi, 2009, Bioorganic & medicinal chemistry.

Analysis of a large food chemical database: chemical space, diversity, and complexity

R. Bienstock, J. Medina‐Franco, Mariel Rico-Hidalgo, 2018, F1000Research.

Polypharmacological drug design opportunities against Parkinson's disease

J. Medina-Franco, E. López-López, C. Barrientos-Salcedo, 2022, F1000Research.

Research Highlights : We introduce a new concept , the systemic chemogenomics / QSAR

José L. Medina-Franco, Maykel Cruz-Monteagudo, Stephan Schürer, 2017 .

Machine Learning Models to Predict Protein–Protein Interaction Inhibitors

J. Medina-Franco, Bárbara I. Díaz-Eufracio, J. Medina‐Franco, 2022, Molecules.

Epigenetic Target Prediction with Accurate Machine Learning Models

J. Medina-Franco, Norberto Sánchez-Cruz, J. Medina‐Franco, 2021 .

A general approach for retrosynthetic molecular core analysis

J. Jesús Naveja, José L. Medina-Franco, Jürgen Bajorath, 2019, Journal of Cheminformatics.

Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop

Tilmann Weber, José L. Medina-Franco, Justin J. J. van der Hooft, 2021, Journal of Cheminformatics.

Chemoinformatic Approach: The Case of Natural Products of Panama

J. Medina-Franco, D. Olmedo, J. Medina‐Franco, 2019, Cheminformatics and its Applications.

Reaching for the bright StARs in chemical space.

José L Medina-Franco, J Jesús Naveja, Edgar López-Lópezd, 2019, Drug discovery today.

Scanning Structure-Activity Relationships with Structure-Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches

J. Medina‐Franco, 2012, J. Chem. Inf. Model..

An in silico pipeline for the discovery of multitarget ligands: A case study for epi-polypharmacology based on DNMT1/HDAC2 inhibition.

J. Medina-Franco, L. M. Espinoza-Fonseca, F. D. Prieto-Martínez, 2021, Artificial intelligence in the life sciences.

Cheminformatic characterization of natural products from Panama

Mahabir P. Gupta, J. Medina-Franco, M. González-Medina, 2017, Molecular Diversity.

Activity landscape of DNA methyltransferase inhibitors bridges chemoinformatics with epigenetic drug discovery

José L Medina-Franco, J Jesús Naveja, J. Medina-Franco, 2015, Expert opinion on drug discovery.

Activity landscape sweeping: insights into the mechanism of inhibition and optimization of DNMT1 inhibitors

J. Jesús Naveja, José L. Medina-Franco, J. Medina-Franco, 2015 .

Activity and property landscape modeling is at the interface of chemoinformatics and medicinal chemistry.

José L Medina-Franco, Gabriel Navarrete-Vázquez, Oscar Méndez-Lucio, 2015, Future medicinal chemistry.

Quantitative Structure-Epigenetic Activity Relationships

J. Medina-Franco, M. Cruz-Monteagudo, Mario Omar García-Sánchez, 2017 .

Conditional Probabilistic Analysis for Prediction of the Activity Landscape and Relative Compound Activities

José L. Medina-Franco, Richard A. Houghten, Marc A. Giulianotti, 2013, J. Chem. Inf. Model..

Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs

Ray M. Marín, J. Medina-Franco, A. Bender, 2009, J. Chem. Inf. Model..

Chemical space, diversity and activity landscape analysis of estrogen receptor binders

J. Jesús Naveja, Ulf Norinder, Daniel Mucs, 2018, RSC advances.

Conformal prediction of HDAC inhibitors

U Norinder, J J Naveja, E López-López, 2019, SAR and QSAR in environmental research.

New Approaches for the Discovery of Pharmacologically-Active Natural Compounds

J. Medina-Franco, J. Medina‐Franco, 2019, Biomolecules.

Synthesis and antitubercular activity of new N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(nitroheteroaryl)carboxamides

J. Medina-Franco, M. Miranda, R. Martínez, 2019, Heterocyclic Communications.

Getting SMARt in drug discovery: chemoinformatics approaches for mining structure–multiple activity relationships

J. Jesús Naveja, José L. Medina-Franco, Fernanda I. Saldívar-González, 2017 .

Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?

Maykel Cruz-Monteagudo, José L Medina-Franco, Orazio Nicolotti, 2014, Drug discovery today.

Progress in the Analysis of Multiple Activity Profile of Screening Data Using Computational Approaches

José L Medina-Franco, Vicente F Kuyoc-Carrillo, J. Medina‐Franco, 2014, Drug development research.

Chemoinformatic characterization of activity and selectivity switches of antiprotozoal compounds.

Jaime Pérez-Villanueva, José L Medina-Franco, Rodrigo Aguayo-Ortiz, 2014, Future medicinal chemistry.

Rapid Scanning Structure-Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches

Clemencia Pinilla, Bruce S. Edwards, Larry A. Sklar, 2013, J. Chem. Inf. Model..

Activity Cliffs: Facts or Artifacts?

José L Medina-Franco, J. Medina-Franco, J. Medina‐Franco, 2013, Chemical biology & drug design.

Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds

José L. Medina-Franco, Austin B. Yongye, J. Medina‐Franco, 2012, J. Chem. Inf. Model..

PeruNPDB: the Peruvian Natural Products Database for in silico drug screening

J. Medina-Franco, Lena Gálvez Ranilla, H. L. Barazorda-Ccahuana, 2023, bioRxiv.

How to Valorize Biodiversity? Letʼs Go Hashing, Extracting, Filtering, Mining, Fishing

T. Scior, Q. Do, P. Bernard, 2015, Planta Medica.

Lessons from Exploring Chemical Space and Chemical Diversity of Propolis Components

J. Medina-Franco, P. Brooks, S. Ogbourne, 2020, International journal of molecular sciences.

Extended connectivity interaction features: improving binding affinity prediction through chemical description

Xavier Barril, Norberto Sánchez-Cruz, José L Medina-Franco, 2020, Bioinform..

Chemoinformatics in Food Science

Oscar Méndez-Lucio, John R. Owen, José L. Medina-Franco, 2018 .

Discovery and Optimization of Inhibitors of DNA Methyltransferase as Novel Drugs for Cancer Therapy

Jakyung Yoo, J. Medina‐Franco, 2011 .

Trimethylaurintricarboxylic acid inhibits human DNA methyltransferase 1: insights from enzymatic and molecular modeling studies

José L. Medina-Franco, J. Medina-Franco, Jakyung Yoo, 2011, Journal of Molecular Modeling.

Natural products as DNA methyltransferase inhibitors: a computer-aided discovery approach

J. Medina-Franco, Fabian López-Vallejo, F. Lyko, 2010, Molecular Diversity.

Synthesis and highly potent hypolipidemic activity of alpha-asarone- and fibrate-based 2-acyl and 2-alkyl phenols as HMG-CoA reductase inhibitors.

Aarón Mendieta, L. Villa-Tanaca, F. Jiménez, 2014, Bioorganic & medicinal chemistry.

Design of a multi-target focused library for antidiabetic targets using a comprehensive set of chemical transformation rules

Fernanda I. Saldívar-González, J. Medina‐Franco, Gabriel Navarrete-Vázquez, 2023, Frontiers in Pharmacology.

Anthocyanins: Molecular Aspects on Their Neuroprotective Activity

M. Velasco-Velázquez, J. Medina‐Franco, César A. Zaa, 2023, Biomolecules.

Strategies for the use of mixture-based synthetic combinatorial libraries: scaffold ranking, direct testing in vivo, and enhanced deconvolution by computational methods.

Clemencia Pinilla, Yongping Yu, Adel Nefzi, 2008, Journal of combinatorial chemistry.

School of cheminformatics in Latin America

M. Rarey, J. Medina‐Franco, Barbara Zdrazil, 2023, Journal of Cheminformatics.

Sampling and Mapping Chemical Space with Extended Similarity Indices

E. López-López, R. Miranda‐Quintana, J. Medina‐Franco, 2023, Molecules.

Approaches for enhancing the analysis of chemical space for drug discovery

Fernanda I. Saldívar-González, J. Medina-Franco, F. Saldívar-González, 2022, Expert opinion on drug discovery.

ChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds

J. Jesús Naveja, José L. Medina-Franco, J. Reymond, 2017, F1000Research.

Chemoinformatic Characterization of the Chemical Space and Molecular Diversity of Compound Libraries

José L. Medina-Franco, J. Medina-Franco, J. Medina‐Franco, 2013 .

Challenges in natural product-based drug discovery assisted with in silico-based methods

Aurélien F. A. Moumbock, Smith B. Babiaka, W. Sippl, 2023, RSC Advances.

Informatics for Chemistry, Biology, and Biomedical Sciences.

José L. Medina-Franco, Jürgen Bajorath, Edgar López-López, 2020, Journal of chemical information and modeling.

Cheminformatics to Characterize Pharmacologically Active Natural Products

José L Medina-Franco, Fernanda I. Saldívar-González, Fernanda I Saldívar-González, 2020, Biomolecules.

Integrating computational and mixture-based screening of combinatorial libraries

Clemencia Pinilla, Austin B. Yongye, Richard A. Houghten, 2011, Journal of molecular modeling.

Natural product drug discovery in the artificial intelligence era

Fernanda I. Saldívar-González, J. Medina-Franco, F. Saldívar-González, 2021, Chemical science.

Effects of Cyclic Lipodepsipeptide Structural Modulation on Stability, Antibacterial Activity, and Human Cell Toxicity

J. Medina-Franco, Nina Bionda, D. Treitl, 2012, ChemMedChem.

Exploration of Target Synergy in Cancer Treatment by Cell-Based Screening Assay and Network Propagation Analysis

Jürgen Bajorath, José L Medina-Franco, J Jesús Naveja, 2019, J. Chem. Inf. Model..

Toward an Efficient Approach to Identify Molecular Scaffolds Possessing Selective or Promiscuous Compounds

José L Medina-Franco, Austin B. Yongye, Austin B Yongye, 2013, Chemical biology & drug design.

Targeting Leishmania infantum Mannosyl-oligosaccharide glucosidase with natural products: pH-dependent inhibition explored through computer-aided drug design

R. Machado-de-Ávila, R. Giunchetti, A. Galdino, 2024, bioRxiv.

The Essence and Transcendence of Scientific Publishing

J. Medina-Franco, E. López-López, J. Medina‐Franco, 2022, Frontiers in Research Metrics and Analytics.

Synthesis of 2-{2-[(α/β-naphthalen-1-ylsulfonyl)amino]-1,3-thiazol-4-yl} acetamides with 11β-hydroxysteroid dehydrogenase inhibition and in combo antidiabetic activities.

Fabian López-Vallejo, M. Binnie, Sergio Hidalgo-Figueroa, 2014, European journal of medicinal chemistry.

Current advances on the development of BET inhibitors: insights from computational methods.

J. Medina-Franco, F. D. Prieto-Martínez, J. Medina‐Franco, 2020, Advances in protein chemistry and structural biology.

Balancing novelty with confined chemical space in modern drug discovery

Karina Martinez-Mayorga, Nathalie Meurice, José L Medina-Franco, 2014, Expert opinion on drug discovery.

A critical overview of computational approaches employed for COVID-19 drug discovery

Tudor I. Oprea, Rommie E. Amaro, G. Schneider, 2021, Chemical Society reviews.

Chemical Multiverse: An Expanded View of Chemical Space

Fernanda I. Saldívar-González, Ana L. Chávez-Hernández, J. Medina-Franco, 2022, Molecular informatics.

Computational study on the inhibition mechanism of cruzain by nitrile-containing molecules.

O. Méndez-Lucio, R. Castillo, Antonio Romo-Mancillas, 2012, Journal of molecular graphics & modelling.

Rationality over fashion and hype in drug design

J. Medina-Franco, J. Bajorath, K. Martínez-Mayorga, 2021, F1000Research.

Computational Drug Design Methods—Current and Future Perspectives

José L. Medina-Franco, Fernando D. Prieto-Martínez, Edgar López-López, 2019, In Silico Drug Design.

Towards the identification of the binding site of benzimidazoles to β-tubulin of Trichinella spiralis: insights from computational and experimental data.

J. Medina-Franco, O. Méndez-Lucio, R. Castillo, 2013, Journal of molecular graphics & modelling.

On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?

Rajarshi Guha, José L. Medina-Franco, J. Medina-Franco, 2014, Journal of Cheminformatics.

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps

O. Méndez-Lucio, R. Castillo, J. Pérez‐Villanueva, 2012, Molecular informatics.