J. Medina-Franco

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Nancy Argüelles, Eugenia Sánchez-Sandoval, Aarón Mendieta, 2008 .

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

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

Chemoinformatic expedition of the chemical space of fungal products.

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

Drug Repurposing for Epigenetic Targets Guided by Computational Methods

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

Epigenetic relevant chemical space: a chemoinformatic characterization of inhibitors of DNA methyltransferases

J. Medina-Franco, Eli de Gortari, 2015 .

Activity landscape modeling of PPAR ligands with dual-activity difference maps.

Jaime Pérez-Villanueva, José L Medina-Franco, Rafael Castillo, 2012, Bioorganic & medicinal chemistry.

Consensus Models of Activity Landscapes

José L. Medina-Franco, Austin B. Yongye, Fabian López-Vallejo, 2012 .

Towards a systematic characterization of the antiprotozoal activity landscape of benzimidazole derivatives.

Jaime Pérez-Villanueva, Rafael Castillo, Radleigh Santos, 2010, Bioorganic & medicinal chemistry.

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.

Systematic search for benzimidazole compounds and derivatives with antileishmanial effects

J. Medina-Franco, M. Dea-Ayuela, F. Bolás-Fernández, 2018, Molecular Diversity.

Functional group and diversity analysis of BIOFACQUIM: A Mexican natural product database.

J. Medina-Franco, Norberto Sánchez-Cruz, B. A. Pilón-Jiménez, 2019, F1000Research.

Advances in the computational development of DNA methyltransferase inhibitors.

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

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

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

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

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

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.

Cheminformatics Explorations of Natural Products.

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

Molecular docking : current advances and challenges

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

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

J. Medina-Franco, Jakyung Yoo, 2013, Molecular Diversity.

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.

DNA Methyltransferase Inhibitors for Cancer Therapy

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

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.

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.

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.

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

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

Expanding the medicinally relevant chemical space with compound libraries.

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

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.

Inhibitors of DNA methyltransferases: insights from computational studies.

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

Molecular modeling and virtual screening of DNA methyltransferase inhibitors.

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

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.

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

J. Medina-Franco, G. Sbardella, Fabian López-Vallejo, 2011, Journal of medicinal chemistry.

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

Mariel P Rico-Hidalgo, J. Medina-Franco, J. J. Naveja, 2018, F1000Research.

Systematic mining of generally recognized as safe (GRAS) flavor chemicals for bioactive compounds.

J. Medina-Franco, A. Yongye, K. Martínez-Mayorga, 2013, Journal of agricultural and food chemistry.

Foodinformatics: Applications of Chemical Information to Food Chemistry

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

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

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

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

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

Integrating virtual screening and combinatorial chemistry for accelerated drug discovery.

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

Vasorelaxant activity of some structurally related triterpenic acids from Phoradendron reichenbachianum (Viscaceae) mainly by NO production: ex vivo and in silico studies.

J. Medina-Franco, Fabian López-Vallejo, R. Villalobos-Molina, 2012, Fitoterapia.

Chemical space of naturally occurring compounds

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

Computational-aided design of a library of lactams through a diversity-oriented synthesis strategy.

José L Medina-Franco, Fernanda I. Saldívar-González, Elena Lenci, 2020, Bioorganic & medicinal chemistry.

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.

MOLECULAR SIMILARITY ANALYSIS

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

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

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

Analysis of the Acid/Base Profile of Natural Products from Different Sources

J. Medina-Franco, Marisa G. Santibáñez‐Morán, 2020, Molecular informatics.

Advances in the Exploration of the Epigenetic Relevant Chemical Space

J. Medina-Franco, Diana L. Prado-Romero, 2021, ACS omega.

Scaffold Diversity of Fungal Metabolites

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

Increased Diversity of Libraries from Libraries: Chemoinformatic Analysis of Bis‐Diazacyclic Libraries

José L. Medina-Franco, Andreas Bender, Ian T. Nabney, 2011, Chemical biology & drug design.

Quantitative Structure-Epigenetic Activity Relationships

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

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

J. Medina-Franco, Jakyung Yoo, 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.

Bicyclic acetals: biological relevance, scaffold analysis, and applications in diversity-oriented synthesis.

Fernanda I. Saldívar-González, J. Medina-Franco, A. Trabocchi, 2019, Organic & biomolecular chemistry.

The many roles of molecular complexity in drug discovery.

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

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.

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

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

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.

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 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.

Polypharmacology in Drug Discovery

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

Advances in the development of pyridinone derivatives as non-nucleoside reverse transcriptase inhibitors

J. Medina-Franco, O. Méndez-Lucio, Hugo Vite-Caritino, 2016 .

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.

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.

Conformation-dependent QSAR approach for the prediction of inhibitory activity of bromodomain modulators

J. Medina-Franco, Y. Marrero-Ponce, K. Martínez-Mayorga, 2017, SAR and QSAR in environmental research.

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 .

QSAR Modeling Using Quantum Chemical Descriptors of Benzimidazole Analogues With Antiparasitic Properties

J. Medina-Franco, C. Jardínez, 2018, International Journal of Quantitative Structure-Property Relationships.

Uncovering activity cliff generators using distribution of SALI values

J. Medina-Franco, K. Martínez-Mayorga, 2017 .

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.

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.

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.

Lessons from Exploring Chemical Space and Chemical Diversity of Propolis Components

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

Molecular Modeling of Quinoline-Based Compounds as Potential Dual Inhibitors of Reverse Transcriptase and Integrase of HIV

J. Medina-Franco, A. Cabrera, D. Chávez, 2018 .

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.

In silico tools to study molecular targets of neglected diseases: inhibition of TcSir2rp3, an epigenetic enzyme of Trypanosoma cruzi.

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

The Acid/Base Profile of a Large Food Chemical Database

Mariel P Rico-Hidalgo, J. Medina-Franco, D. Manallack, 2019, Molecular informatics.

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.

Ivermectin as an inhibitor of cancer stem‑like cells.

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

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..

Functional group and diversity analysis of BIOFACQUIM: A Mexican natural product database

Norberto Sánchez-Cruz, José L. Medina-Franco, B. Angélica Pilón-Jiménez, 2019, F1000Research.

Towards the De Novo Design of HIV-1 Protease Inhibitors Based on Natural Products

Ana L. Chávez-Hernández, J. Medina-Franco, F. Saldívar-González, 2021, Biomolecules.

New Approaches for the Discovery of Pharmacologically-Active Natural Compounds

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

Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach

José L. Medina-Franco, Obdulia Rabal, Julen Oyarzabal, 2020, Journal of Computer-Aided Molecular Design.

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

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

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.

Recent progress on cheminformatics approaches to epigenetic drug discovery.

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

Expanding the Structural Diversity of DNA Methyltransferase Inhibitors

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

Chemoinformatics in Food Science

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

LANaPD: Towards a Unified Latin America Natural Products Database

J. Medina-Franco, 2020 .

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 .

Comparative Cheminformatic Analysis of Inhibitors of DNA Methyltransferases

J. Medina-Franco, Oscar Palomino‐Hernández, 2017 .

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.

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 .

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.

The Road Ahead of the Epi-Informatics Field

J. Medina-Franco, Jakyung Yoo, 2016 .

Interaction Fingerprints and Their Applications to Identify Hot Spots.

J. Medina-Franco, M. Giulianotti, K. Martínez-Mayorga, 2015, Methods in molecular biology.

Analysis of structure-Caco-2 permeability relationships using a property landscape approach

J. Medina-Franco, Y. Rojas-Aguirre, 2014, Molecular Diversity.

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.

Traceless solid-phase synthesis of N-substituted 3,5-bis(substituted-idene)piperidin-4-one derivatives

J. Medina-Franco, M. Giulianotti, R. Houghten, 2010 .

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.

Epigenetic Target Prediction with Accurate Machine Learning Models

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

Ribavirin as a tri-targeted antitumor repositioned drug.

J. Medina-Franco, A. Dueñas-González, E. Pérez-Cárdenas, 2015, Oncology reports.

1 Activity Landscape and Molecular Modeling to 2 Explore the SAR of Dual Epigenetic Inhibitors : A Focus 3 on G 9 a and DNMT 1 4

J. Medina-Franco, F. D. Prieto-Martínez, E. López-López, 2018 .

Chemoinformatic Approach: The Case of Natural Products of Panama

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

Cheminformatic characterization of natural products from Panama

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

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.

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

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

Combinatorial Libraries As a Tool for the Discovery of Novel, Broad-Spectrum Antibacterial Agents Targeting the ESKAPE Pathogens.

Radleigh G. Santos, J. Medina-Franco, M. Giulianotti, 2015, Journal of 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.

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.

Synthesis of covalent bonding MWCNT-oligoethylene linezolid conjugates and their antibacterial activity against bacterial strains

J. Medina-Franco, Y. Gochi-Ponce, A. Ochoa-Terán, 2021, RSC advances.

Machine Learning Models to Predict Protein–Protein Interaction Inhibitors

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

Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator

J. D. Petke, J. Medina-Franco, D. Agrafiotis, 2022, Journal of Computer-Aided Molecular Design.

Progress and Impact of Latin American Natural Product Databases

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

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.

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.

Synthesis, in vitro and in silico studies of a PPARγ and GLUT-4 modulator with hypoglycemic effect.

J. Medina-Franco, F. Alarcón-Aguilar, G. Navarrete-Vázquez, 2014, Bioorganic & medicinal chemistry letters.

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

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

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.

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.

Benzoic Acid Derivatives with Trypanocidal Activity: Enzymatic Analysis and Molecular Docking Studies toward Trans-Sialidase

J. Medina-Franco, Peterson de Andrade, I. Carvalho, 2017, Molecules.

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.

The Conformational Behavior of Novel Glycosidase Inhibitors with Substituted Azepan Structures: An NMR and Modeling Study

J. Medina-Franco, F. Cañada, P. Vogel, 2004 .

Exploring the chemical space and the bioactivity profile of lactams: a chemoinformatic study

Fernanda I. Saldívar-González, J. Medina-Franco, A. Trabocchi, 2019, RSC advances.

Discovery, synthesis and in combo studies of a tetrazole analogue of clofibric acid as a potent hypoglycemic agent.

J. Medina-Franco, Fabian López-Vallejo, G. Navarrete-Vázquez, 2013, Bioorganic & medicinal chemistry letters.

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.

Parallel synthesis of novel antitumor agents: 1,2,3-triazoles bearing biologically active sulfonamide moiety and their 3D-QSAR

J. Medina-Franco, M. Giulianotti, Bo Yang, 2011, Molecular Diversity.

In search of AKT kinase inhibitors as anticancer agents: structure-based design, docking, and molecular dynamics studies of 2,4,6-trisubstituted pyridines

José L Medina-Franco, Rafael Castillo, Alicia Hernández-Campos, 2018, Journal of biomolecular structure & dynamics.

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

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

Synthesis, in vitro and in silico screening of ethyl 2-(6-substituted benzo[d]thiazol-2-ylamino)-2-oxoacetates as protein-tyrosine phosphatase 1B inhibitors.

J. Medina-Franco, P. Paoli, G. Camici, 2012, European journal of medicinal chemistry.

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.

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.

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.

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.

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

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

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.

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

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

Chemoinformatic characterization of activity and selectivity switches of antiprotozoal compounds.

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

Cheminformatics to Characterize Pharmacologically Active Natural Products

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

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.

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.

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.

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.

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.

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.

Tubulin Inhibitors: A Chemoinformatic Analysis Using Cell-Based Data

J. Medina-Franco, E. López-López, C. Cerda-García-Rojas, 2021, Molecules.

Molecular Modeling of Potential Dual Inhibitors of HIV Reverse Transcriptase and Integrase

J. Medina-Franco, A. Cabrera, D. Chávez, 2018 .

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

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

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

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

Large compound databases for structure-activity relationships studies in drug discovery.

Thomas Scior, Philippe Bernard, J. Medina-Franco, 2007, Mini reviews in medicinal chemistry.

Hierarchical Strategy for Identifying Active Chemotype Classes in Compound Databases

Gerald M. Maggiora, Joachim Petit, J. Medina-Franco, 2006, Chemical biology & drug design.

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

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

New fragmentation processes of pyridin-2(1H)-ones upon electron impact ionization.

J. Medina-Franco, R. Castillo, A. Hernández-Campos, 2005, Rapid communications in mass spectrometry : RCM.

Studies on the Selective S-oxidation of Albendazole, Fenbendazole, Triclabendazole, and Other Benzimidazole Sulfides

J. Medina-Franco, R. Castillo, A. Hernández-Campos, 2005 .

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.

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.

Inhibitors of DNA Methyltransferases From Natural Sources: A Computational Perspective

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

Recognizing Pitfalls in Virtual Screening: A Critical Review

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

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 .

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

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

Developmental DNA methyltransferase inhibitors in the treatment of gynecologic cancers

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

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

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

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..

Rationality over fashion and hype in drug design

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

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.

Computational Drug Design Methods—Current and Future Perspectives

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

Design and synthesis of N‐benzoyl amino acid derivatives as DNA methylation inhibitors

J. Medina-Franco, M. Bertinaria, C. Gaetano, 2016, Chemical biology & drug design.

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..

Novel Linezolid analogues with antiparasitic activity against Hymenolepis nana.

J. Medina-Franco, G. Aguirre, A. Ochoa-Terán, 2020, Bioorganic chemistry.

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.

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.

Statistical correlation of nonconservative substitutions of HIV gp41 variable amino acid residues with the R5X4 HIV-1 phenotype

J. Medina-Franco, G. Cocho, O. Méndez-Lucio, 2016, Virology Journal.

Characterization of a comprehensive flavor database

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

Chemoinformatics-applications in food chemistry.

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

Polypharmacological drug design opportunities against Parkinson's disease

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

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 .

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..

Structure–activity relationships of benzimidazole derivatives as antiparasitic agents: Dual activity-difference (DAD) maps

José L. Medina-Franco, Jaime Pérez-Villanueva, Rafael Castillo, 2011 .

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.

Editorial: In silico Methods for Drug Design and Discovery

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

Reaching for the bright StARs in chemical space.

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

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

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

Epigenetic Target Fishing with Accurate Machine Learning Models.

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

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.

Finding Constellations in Chemical Space Through Core Analysis

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

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

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

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 .

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.

DNA Methyltransferase Inhibitors with Novel Chemical Scaffolds

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

Chemoinformatics: a perspective from an academic setting in Latin America

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

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.

Natural product drug discovery in the artificial intelligence era

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

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.

Interrogating Novel Areas of Chemical Space for Drug Discovery using Chemoinformatics

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

Design and synthesis of α‐conotoxin GID analogues as selective α4β2 nicotinic acetylcholine receptor antagonists

José L Medina-Franco, Austin B Yongye, J. Medina-Franco, 2014, Biopolymers.

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

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

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.

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.

Flexible docking of pyridinone derivatives into the non-nucleoside inhibitor binding site of HIV-1 reverse transcriptase.

Jesús Jiménez-Barbero, Rafael Castillo, Cecilia Juárez-Gordiano, 2004, Bioorganic & medicinal chemistry.

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..

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.

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.

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.

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.

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..

Platform for Unified Molecular Analysis: PUMA

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

BIOFACQUIM: A Mexican Compound Database of Natural Products

José L Medina-Franco, Bárbara I Díaz-Eufracio, Fernanda I. Saldívar-González, 2018, Biomolecules.

Activity cliffs and activity cliff generators based on chemotype-related activity landscapes

Jaime Pérez-Villanueva, José L Medina-Franco, Oscar Méndez-Lucio, 2015, Molecular Diversity.

Analyzing Multitarget Activity Landscapes Using Protein-Ligand Interaction Fingerprints: Interaction Cliffs

Andreas Bender, Oscar Méndez-Lucio, Albert J. Kooistra, 2015, J. Chem. Inf. Model..

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps

Oscar Méndez-Lucio, Jaime Pérez-Villanueva, Rafael Castillo, 2012, Molecular informatics.

Anti-inflammatory and antioxidant properties of a novel resveratrol-salicylate hybrid analog.

J. Medina-Franco, A. Siraki, F. Aldawsari, 2016, Bioorganic & medicinal chemistry letters.

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

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

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.

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

José L Medina-Franco, J Jesús Naveja, Mariel P Rico-Hidalgo, 2018, F1000Research.

Cheminformatic characterization of natural products from Panama

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

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.

Visualization of Molecular Fingerprints

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

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

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

The Essence and Transcendence of Scientific Publishing

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

Chemoinformatics-based enumeration of chemical libraries: a tutorial

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

Visualization of the Chemical Space in Drug Discovery

José L. Medina-Franco, Karina Martinez-Mayorga, Marc A. Giulianotti, 2008 .

Systematic characterization of structure-activity relationships and ADMET compliance: a case study.

José L Medina-Franco, Austin B Yongye, J. Medina-Franco, 2013, Drug discovery today.

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..

Integrating computational and mixture-based screening of combinatorial libraries

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

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.

Activity Cliffs: Facts or Artifacts?

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

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

José L. Medina-Franco, Andreas Bender, Richard A. Houghten, 2009, J. Chem. Inf. Model..

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

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

Molecular modeling of some 1H-benzimidazole derivatives with biological activity against Entamoeba histolytica: a comparative molecular field analysis study.

J. Medina-Franco, Fabian López-Vallejo, R. Castillo, 2007, Bioorganic & medicinal chemistry.

Consensus Virtual Screening Protocol Towards the Identification of Small Molecules Interacting with the Colchicine Binding Site of the Tubulin‐microtubule System

J. Medina-Franco, E. López-López, C. Cerda-García-Rojas, 2022, Molecular Informatics.

Informatics for Chemistry, Biology, and Biomedical Sciences.

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

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.

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.

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.

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.

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.

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.

Natural products subsets: generation and characterization

Ana L. Chávez-Hernández, J. Medina-Franco, Ana L. Chávez‐Hernández, 2023, Artificial Intelligence in the Life Sciences.

Computational Approaches for the Discovery and Development of Pharmacologically Active Natural Products

J. Medina-Franco, 2021, Biomolecules.

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.

Epi-Informatics : Discovery and Development of Small Molecule Epigenetic Drugs and Probes

Jose Medina-Franco, J. Medina-Franco, 2016 .

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

J. Medina-Franco, O. Méndez-Lucio, R. Castillo, 2012, Journal of molecular graphics & modelling.

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.

Editorial: Insights in silico methods and artificial intelligence for drug discovery: 2022

J. Medina-Franco, 2023, Frontiers in Drug Discovery.

Software and Online Resources: Perspectives and Potential Applications

José L. Medina-Franco, Karina Martínez-Mayorga, Terry L. Peppard, 2014 .

Chemoinformatics Analysis and Structural Similarity Studies of Food-Related Databases

José L. Medina-Franco, Karina Martínez-Mayorga, Terry L. Peppard, 2014 .

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

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

Activity cliffs and activity cliff generators based on chemotype-related activity landscapes

J. Medina-Franco, O. Méndez-Lucio, Olivia Soria-Arteche, 2015, Molecular diversity.

A chemical space odyssey of inhibitors of histone deacetylases and bromodomains

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

Computational Methods for Epigenetic Drug Discovery: A Focus on Activity Landscape Modeling.

José L Medina-Franco, J Jesús Naveja, C Iluhí Oviedo-Osornio, 2018, Advances in protein chemistry and structural biology.

CASE Plots for the Chemotype‐Based Activity and Selectivity Analysis: A CASE Study of Cyclooxygenase Inhibitors

Jaime Pérez-Villanueva, José L Medina-Franco, Rafael Castillo, 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..

Multitarget Structure-Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure

Austin B. Yongye, José L. Medina-Franco, Jaime Pérez-Villanueva, 2011, J. Chem. Inf. Model..

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

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

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.

Diversity and Chemical Library Networks of Large Data Sets

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

Chemical Multiverse: An Expanded View of Chemical Space

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

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..

Consensus Pharmacophore Strategy For Identifying Novel SARS-Cov-2 Mpro Inhibitors from Large Chemical Libraries

J. Medina-Franco, M. Velasco-Velázquez, A. Ruiz-Moreno, 2024, Journal of chemical information and modeling.

Progress in the Visualization and Mining of Chemical and Target Spaces

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

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

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

Diversity and Chemical Space Characterization of Inhibitors of the Epigenetic Target G9a: A Chemoinformatics Approach

J. Medina-Franco, Raziel Cedillo-González, 2023, ACS omega.

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

Fernanda I. Saldívar-González, J. Medina-Franco, Oscar Palomino-Hernández, 2017 .

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

J. Medina-Franco, Jakyung Yoo, J. Medina‐Franco, 2011 .

De Novo Design of Inhibitors of DNA Methyltransferase 1: A Critical Comparison of Ligand- and Structure-Based Approaches

Fernanda I. Saldívar-González, J. Medina-Franco, Norberto Sánchez-Cruz, 2024, Biomolecules.

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

J. Medina-Franco, R. Machado-de-Ávila, R. Giunchetti, 2024, Frontiers in pharmacology.

A Spanish Chemoinformatics GitBook for Chemical Data Retrieval and Analysis Using Python Programming

Fernanda I. Saldívar-González, Ana L. Chávez-Hernández, J. Medina-Franco, 2024, Journal of Chemical Education.

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

J. Medina-Franco, R. Machado-de-Ávila, R. Giunchetti, 2024, bioRxiv.

Consensus docking aid to model the activity of an inhibitor of DNA methyltransferase 1 inspired by de novo design

Fernanda I. Saldívar-González, Ana L. Chávez-Hernández, J. Medina-Franco, 2023, Frontiers in Drug Discovery.

Toward α‐1,3/4 fucosyltransferases targeted drug discovery: In silico uncovering of promising natural inhibitors of fucosyltransferase 6

J. Medina-Franco, L. Cavallo, R. Oliva, 2023, Journal of cellular biochemistry.

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

J. Medina-Franco, T. Scior, Q. Do, 2015, Planta Medica.

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps

J. Medina-Franco, O. Méndez-Lucio, R. Castillo, 2012, Molecular informatics.

Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB

William J. Zamora, J. Medina-Franco, V. Bolzani, 2023, Pharmaceuticals.

Chemoinformatics approaches to assess chemical diversity and complexity of small molecules

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

Trends and challenges in chemoinformatics research in Latin America

William J. Zamora, J. Medina-Franco, V. Maltarollo, 2023, Artificial Intelligence in the Life Sciences.

Artiﬁcial Intelligence in the Life Sciences

J. Medina-Franco, Carlos Peña-Varas, Miguel Angel Chávez-Fumagalli, 2022 .

Analysis of structure-Caco-2 permeability relationships using a property landscape approach

J. Medina-Franco, Y. Rojas-Aguirre, 2014, Molecular Diversity.