Directorio

Magdaleno, J. S. L., Grewal, R. K., Medina‐Franco, J. L., Oliva, R., Shaikh, A. R., Cavallo, L.*, & Chawla, M.* (2023). Toward Α‐1,3/4 fucosyltransferases Targeted drug discovery: in Silico uncovering of promising natural inhibitors of fucosyltransferase 6. Journal of Cellular Biochemistry, 124(8), 1173-1185.
DOI:10.1002/jcb.30440

Simoben, C. V.*, Babiaka, S. B., Moumbock, A. F. A., Namba-Nzanguim, C. T., Eni, D. B., Medina-Franco, J. L., Günther, S., Ntie‐Kang, F., & Sippl, W.* (2023). Challenges in natural product-based drug discovery assisted with in silico-based methods. RSC Advances, 13(45), 31578-31594.
DOI:10.1039/d3ra06831e

Sánchez-Cruz, N.*, Gortari, E. F., & Medina‐Franco, J. L.* (2023). Editorial: Computational Chemogenomics: In Silico Tools in Pharmacological Research and Drug Discovery. Frontiers in Pharmacology, 14.
DOI:10.3389/fphar.2023.1150869

López, E. L.*, Robles, O., Plisson, F., & Medina‐Franco, J. L.* (2023). Mapping the structure-activity landscape of non-canonical peptides with MAP4 fingerprinting. Digital discovery, 2(5), 1494-1505.
DOI:10.1039/d3dd00098b

Gómez-García, A., Jiménez, D. F., Zamora, W. J., Barazorda-Ccahuana, H. L., Chávez-Fumagalli, M. Á., Valli, M., Andricopulo, A. D., Da Silva Bolzani, V., Olmedo, D. A., Solı́s, P., Núñez, M. J., Pérez, J., Sánchez, H. A. V., Hernández, H. M., & Medina-Franco, J. L.* (2023). Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB. ChemRxiv.
DOI:10.26434/chemrxiv-2023-hgsql

Barazorda-Ccahuana, H. L., Ranilla, L. G., Candia-Puma, M. A., Cárcamo-Rodriguez, E. G., Centeno-Lopez, A. E., Del-Carpio, G. D., Medina-Franco, J. L., & Chávez-Fumagalli, M. Á.* (2023). PerUNPDB: The Peruvian Natural Products Database for in silico drug screening. Scientific Reports, 13(1), 7577.
DOI:10.1038/s41598-023-34729-0

Zaa, C. A.*, Marcelo, Á., An, Z., Medina-Franco, J. L., & Velasco-Velázquez, M. A.* (2023). Anthocyanins: molecular aspects on their neuroprotective activity. Biomolecules, 13(11), 1598.
DOI:10.3390/biom13111598

Gómez-García, A., Jiménez, D. F., Zamora, W. J., Barazorda-Ccahuana, H. L., Chávez-Fumagalli, M. Á., Valli, M., Andricopulo, A. D., Da Silva Bolzani, V., Olmedo, D. A., Solís, P. N., Núñez, M. J., Pérez, J., Valencia-Sánchez, H., Cortes-Hernández, H., & Medina-Franco, J. L.* (2023). Navigating the chemical space and chemical multiverse of a Unified Latin American Natural Product Database: LANAPDB. Pharmaceuticals, 16(10), 1388.
DOI:10.3390/ph16101388

López-Pérez, K., López-López, E., Medina-Franco, J. L.*, & Miranda‐Quintana, R. A.* (2023). Sampling and mapping chemical space with extended similarity indices. Molecules, 28(17), 6333.
DOI:10.3390/molecules28176333

Cedillo-González, R., & Medina-Franco, J. L.* (2023). Diversity and Chemical Space Characterization of Inhibitors of the Epigenetic Target G9a: A Chemoinformatics Approach. ACS Omega, 8(33), 30694-30704.
DOI:10.1021/acsomega.3c04566

Miranda‐Quintana, R. A.*, Dunn, T. B., López-López, E., Kim, T., & Medina-Franco, J. L.* (2023). Exploring activity landscapes with extended similarity: Is Tanimoto enough? Molecular Informatics, 42(7).
DOI:10.1002/minf.202300056

Saldívar-González, F. I., De Gortari, E. F., & Medina-Franco, J. L. (2023). Inteligencia artificial en el diseño de fármacos: hacia la inteligencia aumentada. Educación Química, 34(2), 17-25.
DOI:10.22201/fq.18708404e.2023.2.83233

Gaytán-Hernández, D., Chávez-Hernández, A. L., López-López, E., Miranda-Salas, J., Saldívar-González, F. I., & Medina-Franco, J. L.* (2023). Art driven by visual representations of chemical space. Journal of Cheminformatics, 15(1), 100.
DOI:10.1186/s13321-023-00770-4

Gonzalez-Ponce, K., Andrade, C. H., Hunter, F., Kirchmair, J., Martínez‐Mayorga, K.*, Medina-Franco, J. L.*, Rarey, M., Tropsha, A., Varnek, A., & Zdrazil, B. (2023). School of Cheminformatics in Latin America. Journal of Cheminformatics, 15(1), 82.
DOI:10.1186/s13321-023-00758-0

Miranda-Salas, J., Peña-Varas, C., Martı́nez, I., Olmedo, D. A., Zamora, W. J., Chávez-Fumagalli, M. Á., Azevedo, D. Q., Castilho, R. O., Maltarollo, V. G., Ramírez, D., & Medina-Franco, J. L.* (2023). Trends and Challenges in Chemoinformatics research in Latin America. Artificial Intelligence in the Life Sciences, 3, 100077.
DOI:10.1016/j.ailsci.2023.100077

Saldívar-González, F. I.*, Navarrete‐Vázquez, G., & Medina-Franco, J. L.* (2023). Design of a multi-target focused library for antidiabetic targets using a comprehensive set of chemical transformation rules. Frontiers in Pharmacology, 14.
DOI:10.3389/fphar.2023.1276444

López-López, E.*, & Medina-Franco, J. L.* (2023). Towards Decoding Hepatotoxicity of Approved Drugs through Navigation of Multiverse and Consensus Chemical Spaces. Biomolecules, 13(1), 176.
DOI:10.3390/biom13010176

López‐López, E., Cerda‐García‐Rojas, C. M., & Medina‐Franco, J. L.* (2023). Consensus Virtual Screening Protocol Towards the Identification of Small Molecules Interacting with the Colchicine Binding Site of the Tubulin‐microtubule System. Molecular Informatics, 42(1), 2200166.
DOI:10.1002/minf.202200166

Chávez-Hernández, A. L.*, & Medina-Franco, J. L.* (2023). Natural products subsets: generation and characterization. Artificial Intelligence in the Life Sciences, 100066.
DOI:10.1016/j.ailsci.2023.100066

Medina-Franco, J. L.* (2023). Editorial: Insights in silico methods and artificial intelligence for drug discovery: 2022. Frontiers in Drug Discovery, 2.
DOI:10.3389/fddsv.2022.1126955

Bajorath, J., Chávez-Hernández, A. L., Duran-Frigola, M., Fernández-de Gortari, E., Gasteiger, J., López-López, E., Maggiora, G. M., Medina-Franco, J. L.*, Méndez-Lucio, O., Mestres, J., Miranda-Quintana, R. A., Oprea, T. I., Plisson, F., Prieto-Martínez, F. D., Rodríguez-Pérez, R., Rondón-Villarreal, P., Saldívar-Gonzalez, F. I., Sánchez-Cruz, N., & Valli, M. (2022). Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds. Journal of Cheminformatics, 14(1).
DOI:10.1186/s13321-022-00661-0

Díaz-Eufracio, B. I.*, & Medina-Franco, J. L.* (2022). Machine Learning Models to Predict Protein–Protein Interaction Inhibitors. Molecules, 27(22), 7986.
DOI:10.3390/molecules27227986

Cortez-Trejo, M. C., Olivas-Aguirre, F. J., Dufoo-Hurtado, E., Castañeda-Moreno, R., Villegas-Quintero, H., Medina-Franco, J. L., Mendoza, S.*, & Wall-Medrano, A.* (2022). Potential Anticancer Activity of Pomegranate (Punica granatum L.) Fruits of Different Color: In Vitro and In Silico Evidence. Biomolecules, 12(11), 1649.
DOI:10.3390/biom12111649

Shanmugasundaram, V., Bajorath, J., Christoffersen, R. E., Petke, J. D., Howe, W. J., Johnson, M. A., Agrafiotis, D. K., Lee, P., Kuhn, L. A., Goodwin, J. T., Holloway, M. K., Doman, T. N., Walters, W. P., Schreyer, S., Medina-Franco, J. L., Martinez-Mayorga, K., & Restifo, L. L.* (2022). Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator. Journal of Computer-Aided Molecular Design, 36(9), 623-638.
DOI:10.1007/s10822-022-00473-2

Garcia-Romero, E. M., López-López, E., Soriano-Correa, C., Medina-Franco, J. L., & Barrientos-Salcedo, C.* (2022). Polypharmacological drug design opportunities against Parkinson’s disease. F1000Research, 11, 1176.
DOI:10.12688/f1000research.124160.1

López-López, E.*, Fernández-de Gortari, E., & Medina-Franco, J. L.* (2022). Yes SIR! On the structure–inactivity relationships in drug discovery. Drug Discovery Today, 27(8), 2353-2362.
DOI:10.1016/j.drudis.2022.05.005

Castro‐Vazquez, D., Sánchez‐Carranza, J. N., Alvarez, L., Juárez‐Mercado, K. E., Sánchez‐Cruz, N., Medina‐Franco, J. L., Antunez‐Mojica, M.*, & González‐Maya, L.* (2022). Methyl benzoate and cinnamate analogs as modulators of DNA methylation in hepatocellular carcinoma. Chemical Biology & Drug Design, 100(2), 245-255.
DOI:10.1111/cbdd.14061

Flores‐Padilla, E. A., Juárez‐Mercado, K. E., Naveja, J. J., Kim, T. D., Alain Miranda‐Quintana, R., & Medina‐Franco, J. L.* (2022). Chemoinformatic Characterization of Synthetic Screening Libraries Focused on Epigenetic Targets. Molecular Informatics, 41(6), 2100285.
DOI:10.1002/minf.202100285

Medina-Franco, J. L.*, López-López, E., & Martínez-Fernández, L. P. (2022). 7-Aminoalkoxy-Quinazolines from Epigenetic Focused Libraries Are Potent and Selective Inhibitors of DNA Methyltransferase 1. Molecules, 27(9), 2892.
DOI:10.3390/molecules27092892

Medina-Franco, J. L.*, Sánchez-Cruz, N., López-López, E., & Díaz-Eufracio, B. I. (2022). Progress on open chemoinformatic tools for expanding and exploring the chemical space. Journal of Computer-Aided Molecular Design, 36(5), 341-354.
DOI:10.1007/s10822-021-00399-1

Jiménez-Orozco, F. A.*, Galicia-Zapatero, S., López-López, E., Medina-Franco, J. L., Cedeño, F. L., Flores-García, M., Mejia-Domínguez, A. M., & de la Peña-Díaz, A. (2022). Monosubstituted Coumarins Inhibit Epinephrine-induced Platelet Aggregation. Cardiovascular & Hematological Agents in Medicinal Chemistry, 20(1), 43-51.
DOI:10.2174/1871525719666210427132808

Medina‐Franco, J. L.*, Chávez‐Hernández, A. L., López‐López, E., & Saldívar‐González, F. I. (2022). Chemical Multiverse: An Expanded View of Chemical Space. Molecular Informatics, 2200116.
DOI:10.1002/minf.202200116

Saldívar-González, F. I., & Medina-Franco, J. L.* (2022). Approaches for enhancing the analysis of chemical space for drug discovery. Expert Opinion on Drug Discovery, 17(7), 789-798.
DOI:10.1080/17460441.2022.2084608

Gómez-García, A., & Medina-Franco, J. L.* (2022). Progress and Impact of Latin American Natural Product Databases. Biomolecules, 12(9), 1202.
DOI:10.3390/biom12091202

Saldívar-González, F. I., Aldas-Bulos, V. D., Medina-Franco, J. L.*, & Plisson, F. (2022). Natural product drug discovery in the artificial intelligence era. Chemical Science, 13(6), 1526-1546.
DOI:10.1039/d1sc04471k

Victoria-Muñoz, F., Sánchez-Cruz, N., Medina-Franco, J. L., & Lopez-Vallejo, F.* (2022). Cheminformatics analysis of molecular datasets of transcription factors associated with quorum sensing in Pseudomonas aeruginosa. RSC Advances, 12(11), 6783–6790.
DOI:10.1039/d1ra08352j

Medina-Franco, J. L.*, & López-López, E. (2022). The Essence and Transcendence of Scientific Publishing. Frontiers in Research Metrics and Analytics, 7.
DOI:10.3389/frma.2022.822453

Medina-Franco, J. L.*, López-López, E., Andrade, E., Ruiz-Azuara, L., Frei, A., Guan, D., Zuegg, J., & Blaskovich, M. A. (2022). Bridging informatics and medicinal inorganic chemistry: toward a database of metallodrugs and metallodrug candidates. Drug Discovery Today.
DOI:10.1016/j.drudis.2022.02.021

Chávez-Hernández, A. L., Juárez-Mercado, K. E., Saldívar-González, F. I., & Medina-Franco, J. L.* (2021). Towards the De Novo Design of HIV-1 Protease Inhibitors Based on Natural Products. Biomolecules, 11(12), 1805.
DOI:10.3390/biom11121805

Flores‐Padilla, E. A., Juárez‐Mercado, K. E., Naveja, J. J., Kim, T. D., Alain Miranda‐Quintana, R., & Medina‐Franco, J. L.* (2021). Chemoinformatic Characterization of Synthetic Screening Libraries Focused on Epigenetic Targets. Molecular Informatics, 2100285.
DOI:10.1002/minf.202100285

Dunn, T. B., Seabra, G. M., Kim, T. D., Juárez-Mercado, K. E., Li, C., Medina-Franco, J. L.*, & Miranda-Quintana, R. A.* (2021). Diversity and Chemical Library Networks of Large Data Sets. Journal of Chemical Information and Modeling.
DOI:10.1021/acs.jcim.1c01013

Prieto-Martínez, F. D., Fernández-de Gortari, E., Medina-Franco, J. L., & Michel Espinoza-Fonseca, L. (2021). An in silico pipeline for the discovery of multitarget ligands: A case study for epi-polypharmacology based on DNMT1/HDAC2 inhibition. Artificial Intelligence in the Life Sciences, 1, 100008.
DOI:10.1016/j.ailsci.2021.100008

Ntie-Kang, F.*, Telukunta, K. K., Fobofou, S. A. T., Chukwudi Osamor, V.*, Egieyeh, S. A., Valli, M., Djoumbou-Feunang, Y., Sorokina, M., Stork, C., Mathai, N., Zierep, P., Chávez-Hernández, A. L., Duran-Frigola, M., Babiaka, S. B., Tematio Fouedjou, R., Eni, D. B., Akame, S., Arreyetta-Bawak, A. B., Ebob, O. T., Metuge, J. A., Bekono, B. D., Isa, M. A., Onuku, R., Shadrack, D. M., Musyoka, T. M., Patil, V. M., van der Hooft, J. J. J., da Silva Bolzani, V., Medina-Franco, J. L., Kirchmair, J., Weber, T., Tastan Bishop, Ö., Medema, M. H., Wessjohann, L. A., & Ludwig-Müller, J.* (2021). Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop. Journal of Cheminformatics, 13(1).
DOI:10.1186/s13321-021-00546-8

Eurídice Juárez-Mercado, K., Prieto-Martínez, F. D., Sánchez-Cruz, N., Peña-Castillo, A., Prada-Gracia, D., & Medina-Franco, J. L.* (2021). Expanding the Structural Diversity of DNA Methyltransferase Inhibitors. Pharmaceuticals, 14(1), 1-17.
DOI:10.3390/ph14010017

Prado-Romero, D. L., & Medina-Franco, J. L.* (2021). Advances in the Exploration of the Epigenetic Relevant Chemical Space. ACS Omega, 6(35), 22478-22486.
DOI:10.1021/acsomega.1c03389

Alatorre-Barajas, J. A., Alcántar-Zavala, E., Gil-Rivas, M. G., Estrada-Zavala, E., Ochoa-Terán, A.*, Gochi-Ponce, Y.*, Montes-Ávila, J., Cabrera, A., Trujillo-Navarrete, B., Rivera-Lugo, Y. Y., Alonso-Núñez, G., Reynoso-Soto, E. A., & Medina-Franco, J. L. (2021). Synthesis of covalent bonding MWCNT-oligoethylene linezolid conjugates and their antibacterial activity against bacterial strains. RSC Advances, 11(46), 28912-28924.
DOI:10.1039/d1ra04691h

Muratov, E. N., Amaro, R., Andrade, C. H., Brown, N., Ekins, S., Fourches, D., Isayev, O., Kozakov, D., Medina-Franco, J. L., Merz, K. M., Oprea, T. I., Poroikov, V., Schneider, G., Todd, M. H., Varnek, A., Winkler, D. A., Zakharov, A. V., Cherkasov, A.*, & Tropsha, A.* (2021). A critical overview of computational approaches employed for COVID-19 drug discovery. Chemical Society Reviews, 50(16), 9121-9151.
DOI:10.1039/d0cs01065k

Sánchez-Cruz, N.*, & Medina-Franco, J. L.* (2021). Epigenetic Target Fishing with Accurate Machine Learning Models. Journal of Medicinal Chemistry, 64(12), 8208-8220.
DOI:10.1021/acs.jmedchem.1c00020

Santibáñez-Morán, M. G., & Medina-Franco, J. L.* (2021). The Acid/Base Characterization of Molecules with Epigenetic Activity. ChemMedChem, 16(11), 1744-1753.
DOI:10.1002/cmdc.202001009

Sánchez-Cruz, N.*, Medina-Franco, J. L., Mestres, J., & Barril, X. (2021). Extended connectivity interaction features: improving binding affinity prediction through chemical description. Bioinformatics, 37(10), 1376-1382.
DOI:10.1093/bioinformatics/btaa982

Sánchez-Cruz, N.*, & Medina-Franco, J. L.* (2021). Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules. Journal of Chemical Information and Modeling, 61(4), 1550-1554.
DOI:10.1021/acs.jcim.1c00045

Núñez, M. J., Díaz-Eufracio, B. I., Medina-Franco, J. L., & Olmedo, D. A.* (2021). Latin American databases of natural products: biodiversity and drug discovery against SARS-CoV-2. RSC Advances, 11(26), 16051-16064.
DOI:10.1039/d1ra01507a

Guerrero-Alonso, A., Antunez-Mojica, M.*, & Medina-Franco, J. L.* (2021). Chemoinformatic Analysis of Isothiocyanates: Their Impact in Nature and Medicine. Molecular Informatics.
DOI:10.1002/minf.202100172

Medina-Franco, J. L.*, Sánchez-Cruz, N., López-López, E., & Díaz-Eufracio, B. I. (2021). Progress on open chemoinformatic tools for expanding and exploring the chemical space. Journal of Computer-Aided Molecular Design.
DOI:10.1007/s10822-021-00399-1

Medina-Franco, J. L.*, Martinez-Mayorga, K., Fernández-de Gortari, E., Kirchmair, J., & Bajorath, J. (2021). Rationality over fashion and hype in drug design. F1000Research, 10.
DOI:10.12688/f1000research.52676.1

López-López, E., Cerda-García-rojas, C. M.*, & Medina-Franco, J. L.* (2021). Tubulin Inhibitors: A Chemoinformatic Analysis Using Cell-Based Data. Molecules, 26(9).
DOI:10.3390/molecules26092483

Flores-Padilla, E. A., Juárez-Mercado, K. E., Naveja, J. J., Kim, T. D., Miranda-Quintana, R. A., & Medina-Franco, J. L. (2021). Chemoinformatic Characterization of Synthetic Screening Libraries Focused on Epigenetic Targets. ChemRxiv.
DOI:10.33774/chemrxiv-2021-0pq98

Victoria-Muñoz, F., Sánchez-Cruz, N., Medina-Franco, J. L., & López-Vallejo, F. (2021). Cheminformatics analysis of molecular datasets of transcription factors associated with quorum sensing in Pseudomonas aeruginosa. ChemRxiv.
DOI:10.33774/chemrxiv-2021-9fc9m

Jiménez-Orozco, F. A.*, Galicia-Zapatero, S., López-López, E., Medina-Franco, J. L., Cedeño, F. L., Flores-García, M., Mejia-Domínguez, A., & de la Peña-Díaz, A. (2021). Monosubstituted Coumarins Inhibit Epinephrine-Induced Platelet Aggregation Antiplatelet Effect of Monosubstituted Coumarins. Cardiovascular & Hematological Agents in Medicinal Chemistry, 19.
DOI:10.2174/1871525719666210427132808

Medina-Franco, J. L.* (2021). Computational Approaches for the Discovery and Development of Pharmacologically Active Natural Products. Biomolecules, 11(5), 630.
DOI:10.3390/biom11050630

Medina-Franco, J. L.* (2021). Expanding the Chemical Information Science gateway. F1000Research, 10, 294.
DOI:10.12688/f1000research.52192.1

Sánchez-Cruz, N., & Medina-Franco, J. L. (2021). Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules. ChemRxiv.
DOI:10.26434/chemrxiv.13524575.v1

Sánchez-Cruz, N., & Medina-Franco, J. L. (2021). Epigenetic Target Prediction with Accurate Machine Learning Models. ChemRxiv.
DOI:10.26434/chemrxiv.13522313.v1

Madariaga-Mazón, A.*, Naveja, J. J., Medina-Franco, J. L., Noriega-Colima, K. O., & Martinez-Mayorga, K.* (2021). DiaNat-DB: a molecular database of antidiabetic compounds from medicinal plants. RSC Advances, 11(9), 5172–5178.
DOI:10.1039/d0ra10453a

Medina-Franco, J. L.* (2021). Grand Challenges of Computer-Aided Drug Design: The Road Ahead. Frontiers in Drug Design & Discovery, 1, 728551.

Eurídice Juárez-Mercado, K., Prieto-Martínez, F. D., Sánchez-Cruz, N., Peña-Castillo, A., Prada-Gracia, D., & Medina-Franco, J. L.* (2021). Expanding the Structural Diversity of DNA Methyltransferase Inhibitors. Pharmaceuticals, 14(1), 1-17.
DOI:10.3390/ph14010017

López-López, E., Bajorath, J.*, & Medina-Franco, J. L. (2021). Informatics for Chemistry, Biology, and Biomedical Sciences. Journal of Chemical Information and Modeling, 61(1), 26-35.
DOI:10.1021/acs.jcim.0c01301

Sánchez-Cruz, N., & Medina-Franco, J. L. (2021). Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules. ChemRxiv.
DOI:10.26434/chemrxiv.13524575

Sánchez-Cruz, N., & Medina-Franco, J. L. (2021). Epigenetic Target Prediction with Accurate Machine Learning Models. ChemRxiv.
DOI:10.26434/chemrxiv.13522313

Madariaga-Mazón, A.*, Naveja, J. J., Medina-Franco, J. L., Noriega-Colima, K. O., & Martinez-Mayorga, K.* (2021). DiaNat-DB: a molecular database of antidiabetic compounds from medicinal plants. RSC Advances, 11(9), 5172-5178.
DOI:10.1039/d0ra10453a

Maggiora, G., Medina-Franco, J. L., Iqbal, J., Vogt, M., & Bajorath, J.* (2020). From Qualitative to Quantitative Analysis of Activity and Property Landscapes. Journal of Chemical Information and Modeling, 60(12), 5873-5880.
DOI:10.1021/acs.jcim.0c01249

Naveja, J. J.*, & Medina-Franco, J. L.* (2020). Consistent Cell‐selective Analog Series as Constellation Luminaries in Chemical Space. Molecular Informatics, 39(12).
DOI:10.1002/minf.202000061

Saldívar-González, F. I., Huerta-García, C. S., & Medina-Franco, J. L. (2020). Chemoinformatics-based enumeration of chemical libraries: a tutorial. Journal of Cheminformatics, 12(1).
DOI:10.1186/s13321-020-00466-z

Medina-Franco, J. L., & Saldívar-González, F. I. (2020). Cheminformatics to Characterize Pharmacologically Active Natural Products. Biomolecules, 10(11), 1-14.
DOI:10.3390/biom10111566

Chávez-Hernández, A. L., Sánchez-Cruz, N., & Medina-Franco, J. L.* (2020). Fragment Library of Natural Products and Compound Databases for Drug Discovery. Biomolecules, 10(11), 1518.
DOI:10.3390/biom10111518

Alcántar-Zavala, E., Hernández-Guevara, E., Ochoa-Terán, A., Montes-Ávila, J., Estrada-Zavala, E. A., Salazar-Medina, A. J., Alday, E., Cabrera, A., Aguirre, G., Miranda-Soto, V., Velazquez, C., Díaz-Camacho, S. P., & Medina-Franco, J. L. (2020). Novel Linezolid analogues with antiparasitic activity against Hymenolepis nana. Bioorganic Chemistry, 105, 104359.
DOI:10.1016/j.bioorg.2020.104359

Sessions, Z., Sánchez-Cruz, N., Prieto-Martínez, F. D., Alves, V. M., Santos, H. P., Muratov, E., Tropsha, A., & Medina-Franco, J. L. (2020). Recent progress on cheminformatics approaches to epigenetic drug discovery. Drug Discovery Today.
DOI:10.1016/j.drudis.2020.09.021

Brogi, S., Ramalho, T. C., Kuca, K., Medina-Franco, J. L., & Valko, M. (2020). Editorial: In silico Methods for Drug Design and Discovery. Frontiers in Chemistry, 8.
DOI:10.3389/fchem.2020.00612

Juárez-Mercado, K. E., Prieto-Martínez, F. D., Sánchez-Cruz, N., Peña-Castillo, A., Prada-Gracia, D., & Medina-Franco, J. L. (2020). DNA Methyltransferase Inhibitors with Novel Chemical Scaffolds. bioRxiv.
DOI:10.1101/2020.10.13.337709

Durán-Iturbide, N. A., Díaz-Eufracio, B. I., & Medina-Franco, J. L. (2020). In Silico ADME/Tox Profiling of Natural Products: A Focus on BIOFACQUIM. ACS Omega, 5(26), 16076-16084.
DOI:10.1021/acsomega.0c01581

Santibáñez-Morán, M. G., López-López, E., Prieto-Martínez, F. D., Sánchez-Cruz, N., & Medina-Franco, J. L. (2020). Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease. RSC Advances, 10(42), 25089-25099.
DOI:10.1039/d0ra04922k

Al Sharie, A. H., El-Elimat, T., Al Zu’bi, Y. O., Aleshawi, A. J., & Medina-Franco, J. L. (2020). Chemical space and diversity of seaweed metabolite database (SWMD): A cheminformatics study. Journal of Molecular Graphics and Modelling, 100.
DOI:10.1016/j.jmgm.2020.107702

Medina-Franco, J. L. (2020). Towards a unified Latin American Natural Products Database: LANaPD. Future Science OA, 6(8).
DOI:10.2144/fsoa-2020-0068

Tran, T. D., Ogbourne, S. M., Brooks, P. R., Sánchez-Cruz, N., Medina-Franco, J. L., & Quinn, R. J. (2020). Lessons from Exploring Chemical Space and Chemical Diversity of Propolis Components. International Journal of Molecular Sciences, 21(14), 1-35.
DOI:10.3390/ijms21144988

Prieto-Martínez, F. D., & Medina-Franco, J. L. (2020). Chapter Five – Current advances on the development of BET inhibitors: insights from computational methods. Advances in Protein Chemistry and Structural Biology, 122, 127-180.
DOI:10.1016/bs.apcsb.2020.06.002

López-López, E., Barrientos-Salcedo, C., Prieto-Martínez, F. D., & Medina-Franco, J. L. (2020). Chapter Seven – In silico tools to study molecular targets of neglected diseases: inhibition of TcSir2rp3, an epigenetic enzyme of Trypanosoma cruzi. Advances in Protein Chemistry and Structural Biology, 122, 203-229.
DOI:10.1016/bs.apcsb.2020.04.001

Jiménez-Arreola, B. S., Aguilar-Ramírez, E., Cano-Sánchez, P., Morales-Jiménez, J., González-Andrade, M., Medina-Franco, J. L., & Rivera-Chávez, J. (2020). Dimeric phenalenones from Talaromyces sp. (IQ-313) inhibit hPTP1B1-400: Insights into mechanistic kinetics from in vitro and in silico studies. Bioorganic Chemistry, 101, 103893.
DOI:10.1016/j.bioorg.2020.103893

Díaz-Eufracio, B. I., Palomino-Hernández, O., Arredondo-Sánchez, A., & Medina-Franco, J. L. (2020). D‐Peptide Builder: A Web Service to Enumerate, Analyze, and Visualize the Chemical Space of Combinatorial Peptide Libraries. Molecular Informatics.
DOI:10.1002/minf.202000035

Saldívar-González, F. I., Lenci, E., Calugi, L., Medina-Franco, J. L., & Trabocchi, A. (2020). Computational-aided design of a library of lactams through a diversity-oriented synthesis strategy. Bioorganic & Medicinal Chemistry, 28(12), 115539.
DOI:10.1016/j.bmc.2020.115539

Santibáñez‐Morán, M. G., & Medina‐Franco, J. L. (2020). Analysis of the Acid/Base Profile of Natural Products from Different Sources. Molecular Informatics, 39(3), 1900099.
DOI:10.1002/minf.201900099

Rocha-Garduño, G., Hernández-Martínez, N. A., Colín-Lozano, B., Estrada-Soto, S., Hernández-Núñez, E., Prieto-Martínez, F. D., Medina-Franco, J. L., Chale-Dzul, J. B., Moo-Puc, R., & Navarrete-Vázquez, G. (2020). Metronidazole and Secnidazole Carbamates: Synthesis, Antiprotozoal Activity, and Molecular Dynamics Studies. Molecules, 25(4), 793.
DOI:10.3390/molecules25040793

Naveja, J. J., & Medina‐Franco, J. L. (2020). Consistent Cell‐selective Analog Series as Constellation Luminaries in Chemical Space. Molecular Informatics.
DOI:10.1002/minf.202000061

Chávez‐Hernández, A. L., Sánchez‐Cruz, N., & Medina‐Franco, J. L. (2020). A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization. Molecular Informatics.
DOI:10.1002/minf.202000050

López-López, E., Rabal, O., Oyarzabal, J., & Medina-Franco, J. L. (2020). Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach. Journal of Computer-Aided Molecular Design, 34(6), 659-669.
DOI:10.1007/s10822-020-00298-x

Sánchez-Cruz, N., Pilón-Jiménez, B. A., & Medina-Franco, J. L. (2020). Functional group and diversity analysis of BIOFACQUIM: A Mexican natural product database. F1000Research, 8, 2071.
DOI:10.12688/f1000research.21540.2

Santibáñez-Morán, M. G., López-López, E., Prieto-Martínez, F. D., Sánchez-Cruz, N., & Medina-Franco, J. L. (2020). Consensus Virtual Screening of Dark Chemical Matter and Food Chemicals Uncover Potential Inhibitors of SARS-CoV-2 Main Protease. ChemRxiv. Preprint.
DOI:10.26434/chemrxiv.12420860.v1

Medina-Franco, J. L. (2020). LANaPD: Towards a Unified Latin America Natural Products Database. Preprints.
DOI:10.20944/preprints202004.0012.v1

Medina-Franco, J. L., Cruz-Lemus, Y., & Percastre-Cruz, Y. (2020). Chemoinformatic Resources for Organometallic Drug Discovery. Computational Molecular Bioscience, 10(01), 1-11.
DOI:10.4236/cmb.2020.101001

Martinez-Mayorga, K., Madariaga-Mazon, A., Medina-Franco, J. L., & Maggiora, G. (2020). The impact of chemoinformatics on drug discovery in the pharmaceutical industry. Expert Opinion on Drug Discovery.
DOI:10.1080/17460441.2020.1696307

Saldívar-González, F. I., & Medina-Franco, J. L. (2020). Chapter 3 – Chemoinformatics approaches to assess chemical diversity and complexity of small molecules. Small Molecule Drug Discovery Methods, Molecules and Applications, 2020, 83-102.
DOI:10.1016/B978-0-12-818349-6.00003-0

García-Olaiz, G. D., Alcántar-Zavala, E., Ochoa-Terán, A., Cabrera, A., Muñiz-Salazar, R., Montes-Ávila, J., Salazar-Medina, A. J., Alday, E., Velazquez, C., Medina-Franco, J. L., & Laniado-Laborín, R. (2020). Design, synthesis and evaluation of the antibacterial activity of new Linezolid dipeptide-type analogues. Bioorganic Chemistry, 95.
DOI:10.1016/j.bioorg.2019.103483

Sánchez-Cruz, N., Pilón-Jiménez, B. A., & Medina-Franco, J. L. (2019). Functional group and diversity analysis of BIOFACQUIM: A Mexican natural product database [version 1; peer review: 2 approved, 1 approved with reservations]. F1000Research, 8, 2071.
DOI:10.12688/f1000research.21540.1

Santibáñez-Morán, M. G., & Medina-Franco, J. L. (2019). Analysis of the Acid/Base profile of natural products from different sources. Molecular Informatics.
DOI:10.1002/minf.201900099

Naveja, J. J.*, Medina-Franco, J. L.* (2019). Finding constellations in chemical space through core analysis. Frontiers in Chemistry, 7, 510.
DOI:10.3389/fchem.2019.00510

Saldívar-González, F. I., Valli, M., Andricopulo, A. D., Da Silva Bolzani, V., & Medina-Franco, J. L.* (2019). Chemical space and diversity of the NuBBE database: A chemoinformatic characterization. Journal of Chemical Information and Modeling, 59(1), 74-85.
DOI:10.1021/acs.jcim.8b00619

Santibáñez-Morán, M. G., Rico-Hidalgo, M. P., Manallack, D. T., & Medina-Franco, J. L.* (2019). The Acid/Base profile of a large food chemical database. Molecular Informatics, 38(6)
DOI:10.1002/minf.201800171

Naveja, J. J., Pilón-Jiménez, B. A., Bajorath, J., & Medina-Franco, J. L. (2019). A general approach for retrosynthetic molecular core analysis. Journal of Cheminformatics, 11(1).
DOI:10.1186/s13321-019-0380-5

Naveja, J. J., Stumpfe, D., Medina-Franco, J. L., & Bajorath, J. (2019). Exploration of target synergy in cancer treatment by cell-based screening assay and network propagation analysis. Journal of Chemical Information and Modeling, 59(6), 3072-3079.
DOI:10.1021/acs.jcim.9b00036

Herrera-Vázquez, F. S., Hernández-Luis, F., & Medina Franco, J. L. (2019). Quinazolines as inhibitors of chromatin-associated proteins in histones. Medicinal Chemistry Research, 28(4), 395-416.
DOI:10.1007/s00044-019-02300-0

González-Medina, M., & Medina-Franco, J. L. (2019). Chemical diversity of cyanobacterial compounds: A chemoinformatics analysis. ACS Omega, 4(4), 6229-6237.
DOI:10.1021/acsomega.9b00532

López-López, E., Naveja, J. J., & Medina-Franco, J. L. (2019). DataWarrior: An evaluation of the open-source drug discovery tool. Expert Opinion on Drug Discovery, 14(4), 335-341.
DOI:10.1080/17460441.2019.1581170

Norinder, U., Naveja, J. J., López-López, E., Mucs, D., & Medina-Franco, J. L. (2019). Conformal prediction of HDAC inhibitors. SAR and QSAR in Environmental Research, 30(4), 265-277.
DOI:10.1080/1062936X.2019.1591503

Leroy, M., Mélin, L., LaPlante, S. R., Medina-Franco, J. L., & Gagnon, A. (2019). Synthesis of NSC 106084 and NSC 14778 and evaluation of their DNMT inhibitory activity. Bioorganic and Medicinal Chemistry Letters, 29(6), 826-831.
DOI:10.1016/j.bmcl.2019.01.022

Medina-Franco, J. L. (2019). New approaches for the discovery of pharmacologically-active natural compounds. Biomolecules, 9(3).
DOI:10.3390/biom9030115

Naveja, J. J., Vogt, M., Stumpfe, D., Medina-Franco, J. L., & Bajorath, J. (2019). Systematic extraction of analogue series from large compound collections using a new computational compound-core relationship method. ACS Omega, 4(1), 1027-1032.
DOI:10.1021/acsomega.8b03390

Prieto-Martínez, F. D., Norinder, U., & Medina-Franco, J. L. (2019). Cheminformatics explorations of natural products. Progress in the Chemistry of Organic Natural Products, 110, 1-35.
DOI:10.1007/978-3-030-14632-0_1

Medina-Franco, J. L., Naveja, J. J., & López-López, E. (2019). Reaching for the bright StARs in chemical space. Drug Discovery Today.
DOI:10.1016/j.drudis.2019.09.013

Saldívar-González, F. I., Lenci, E., Trabocchi, A., & Medina-Franco, J. L. (2019). Exploring the chemical space and the bioactivity profile of lactams: A chemoinformatic study. RSC Advances, 9(46), 27105-27116.
DOI:10.1039/c9ra04841c

Pilón-Jiménez, B. A., Saldívar-González, F. I., Díaz-Eufracio, B. I., & Medina-Franco, J. L. (2019). BIOFACQUIM: A mexican compound database of natural products. Biomolecules, 9(1).
DOI:10.3390/biom9010031

Naveja, J. J., Saldívar-González, F. I., Sánchez-Cruz, N., & Medina-Franco, J. L. (2019). Cheminformatics approaches to study drug polypharmacology.
DOI:10.1007/7653_2018_6

Lenci, E., Menchi, G., Saldívar-Gonzalez, F. I., Medina-Franco, J. L., & Trabocchi, A. (2019). Bicyclic acetals: Biological relevance, scaffold analysis, and applications in diversity-oriented synthesis. Organic and Biomolecular Chemistry, 17(5), 1037-1052.
DOI:10.1039/c8ob02808g

Martínez, R., Nieves Zamudio, G. J., Pretelin-Castillo, G., Torres-Ochoa, R. O., Medina-Franco, J. L., Espitia Pinzón, C. I., Silva Miranda, M., Hernández, E., & Alanís-Garza, B. (2019). Synthesis and antitubercular activity of new N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(nitroheteroaryl)carboxamides. Heterocyclic Communications, 25(1), 52-59.
DOI:10.1515/hc-2019-0007

Saldívar-González, F. I., Pilón-Jiménez, B. A., & Medina-Franco, J. L. (2019). Chemical space of naturally occurring compounds. Physical Sciences Reviews, 4(5).
DOI:10.1515/psr-2018-0103

Sánchez-Cruz, N., & Medina-Franco, J. L.* (2018). Statistical-based database fingerprint: Chemical space dependent representation of compound databases. Journal of Cheminformatics, 10(1).
DOI:10.1186/s13321-018-0311-x

López-López, E., Prieto-Martínez, F. D., & Medina-Franco, J. L.* (2018). Activity landscape and molecular modeling to explore the SAR of dual epigenetic inhibitors: A focus on G9a and DNMT1. Molecules, 23(12).
DOI:10.3390/molecules23123282

Naveja, J. J., & Medina-Franco, J. L.* (2018). Insights from pharmacological similarity of epigenetic targets in epipolypharmacology. Drug Discovery Today, 23(1), 141-150.
DOI:10.1016/j.drudis.2017.10.006

Díaz-Eufracio, B. I., Palomino-Hernández, O., Houghten, R. A., & Medina-Franco, J. L.* (2018). Exploring the chemical space of peptides for drug discovery: A focus on linear and cyclic penta-peptides. Molecular Diversity, 22(2), 259-267.
DOI:10.1007/s11030-018-9812-9

Sánchez-Salgado, J. C., Bilbao-Ramos, P., Dea-Ayuela, M. A., Hernández-Luis, F., Bolás-Fernández, F., Medina-Franco, J. L., & Rojas-Aguirre, Y. (2018). Systematic search for benzimidazole compounds and derivatives with antileishmanial effects. Molecular Diversity, 22(4), 779-790.
DOI:10.1007/s11030-018-9830-7

Saldívar-González, F. I., Gómez-García, A., Chávez-Ponce De León, D. E., Sánchez-Cruz, N., Ruiz-Rios, J., Pilón-Jiménez, B. A., & Medina-Franco, J. L. (2018). Inhibitors of DNA methyltransferases from natural sources: A computational perspective. Frontiers in Pharmacology, 9(OCT).
DOI:10.3389/fphar.2018.01144

Prieto-Martínez, F. D., & Medina-Franco, J. L. (2018). Flavonoids as putative epi-modulators: Insight into their binding mode with brd4 bromodomains using molecular docking and dynamics. Biomolecules, 8(3).
DOI:10.3390/biom8030061

Trejo-Soto, P. J., Hernández-Campos, A., Romo-Mancillas, A., Medina-Franco, J. L., & Castillo, R. (2018). In search of AKT kinase inhibitors as anticancer agents: Structure-based design, docking, and molecular dynamics studies of 2,4,6-trisubstituted pyridines. Journal of Biomolecular Structure and Dynamics, 36(2), 423-442.
DOI:10.1080/07391102.2017.1285724

Naveja, J. J., Oviedo-Osornio, C. I., Trujillo-Minero, N. N., & Medina-Franco, J. L. (2018). Chemoinformatics: A perspective from an academic setting in latin america. Molecular Diversity, 22(1), 247-258.
DOI:10.1007/s11030-017-9802-3

Dominguez-Gomez, G., Chavez-Blanco, A., Medina-Franco, J. L., Saldivar-Gonzalez, F., Flores-Torrontegui, Y., Juarez, M., Díaz-Chávez, J., Gonzalez-Fierro, A., & Dueñas-González, A. (2018). Ivermectin as an inhibitor of cancer stem-like cells. Molecular Medicine Reports, 17(2), 3397-3403.
DOI:10.3892/mmr.2017.8231

Prieto-Martínez, F. D., & Medina-Franco, J. L. (2018). Charting the bromodomain BRD4: Towards the identification of novel inhibitors with molecular similarity and receptor mapping. Letters in Drug Design and Discovery, 15(9), 1002-1011.
DOI:10.2174/1570180814666171121145731

Medina-Franco, J. L., Naveja, J. J., & Rico-Hidalgo, M. P. (2018). Analysis of a large food chemical database: Chemical space, diversity, and complexity. F1000Research, 7.
DOI:10.12688/f1000research.15440.1

Naveja, J. J., Oviedo-Osornio, C. I., & Medina-Franco, J. L. (2018). Computational methods for epigenetic drug discovery: A focus on activity landscape modeling. Advances in Protein Chemistry and Structural Biology, 113, 65-83.
DOI:10.1016/bs.apcsb.2018.01.001

Naveja, J. J., Norinder, U., Mucs, D., López-López, E., & Medina-Franco, J. L. (2018). Chemical space, diversity and activity landscape analysis of estrogen receptor binders. RSC Advances, 8(67), 38229-38237.
DOI:10.1039/c8ra07604a

Cortés-Ruiz, E. M., Palomino-Hernández, O., Rodríguez-Hernández, K. D., Espinoza, B., & Medina-Franco, J. L. (2018). Chapter Five – Computational Methods to Discover Compounds for the Treatment of Chagas Disease. Advances in Protein Chemistry and Structural Biology, 113, 119-142.
DOI:10.1016/bs.apcsb.2018.03.005

González-Medina, M., & Medina-Franco, J. L.* (2017). Platform for unified molecular analysis: PUMA. Journal of Chemical Information and Modeling, 57(8), 1735-1740.
DOI:10.1021/acs.jcim.7b00253

González-Medina, M., Méndez-Lucio, O., & Medina-Franco, J. L.* (2017). Activity landscape plotter: A web-based application for the analysis of structure-activity relationships. Journal of Chemical Information and Modeling, 57(3), 397-402.
DOI:10.1021/acs.jcim.6b00776

Saldívar-González, F. I., Naveja, J. J., Palomino-Hernández, O., & Medina-Franco, J. L.* (2017). Getting SMARt in drug discovery: Chemoinformatics approaches for mining structure-multiple activity relationships. RSC Advances, 7(2), 632-641.
DOI:10.1039/c6ra26230a

González-Medina, M., Naveja, J. J., Sánchez-Cruz, N., & Medina-Franco, J. L.* (2017). Open chemoinformatic resources to explore the structure, properties and chemical space of molecules. RSC Advances, 7(85), 54153-54163.
DOI:10.1039/c7ra11831g

González-Medina, M., Owen, J. R., El-Elimat, T., Pearce, C. J., Oberlies, N. H., Figueroa, M., & Medina-Franco, J. L.* (2017). Scaffold diversity of fungal metabolites. Frontiers in Pharmacology, 8(APR).
DOI:10.3389/fphar.2017.00180

Olmedo, D. A., González-Medina, M., Gupta, M. P., & Medina-Franco, J. L. (2017). Cheminformatic characterization of natural products from panama. Molecular Diversity, 21(4), 779-789.
DOI:10.1007/s11030-017-9781-4

Kashif, M., Moreno-Herrera, A., Villalobos-Rocha, J. C., Nogueda-Torres, B., Pérez-Villanueva, J., Rodríguez-Villar, K., Medina-Franco, J. L., De Andrade, P., Carvalho, I., & Rivera, G. (2017). Benzoic acid derivatives with trypanocidal activity: Enzymatic analysis and molecular docking studies toward trans-sialidase. Molecules, 22(11).
DOI:10.3390/molecules22111863

Sánchez-Rodríguez, A., Pérez-Castillo, Y., Schürer, S. C., Nicolotti, O., Mangiatordi, G. F., Borges, F., Cordeiro, M. N. D. S., Tejera, E., Medina-Franco, J. L., & Cruz-Monteagudo, M. (2017). From flamingo dance to (desirable) drug discovery: A nature-inspired approach. Drug Discovery Today, 22(10), 1489-1502.
DOI:10.1016/j.drudis.2017.05.008

Cruz-Monteagudo, M., Schürer, S., Tejera, E., Pérez-Castillo, Y., Medina-Franco, J. L., Sánchez-Rodríguez, A., & Borges, F. (2017). Systemic QSAR and phenotypic virtual screening: Chasing butterflies in drug discovery. Drug Discovery Today, 22(7), 994-1007.
DOI:10.1016/j.drudis.2017.02.004

Fernández-De Gortari, E., García-Jacas, C. R., Martinez-Mayorga, K., & Medina-Franco, J. L. (2017). Database fingerprint (DFP): An approach to represent molecular databases. Journal of Cheminformatics, 9(1), 1-9.
DOI:10.1186/s13321-017-0195-1

García-Jacas, C. R., Martinez-Mayorga, K., Marrero-Ponce, Y., & Medina-Franco, J. L. (2017). Conformation-dependent QSAR approach for the prediction of inhibitory activity of bromodomain modulators. SAR and QSAR in Environmental Research, 28(1), 41-58.
DOI:10.1080/1062936X.2017.1278616

Medina-Franco, J. L., & Naveja, J. J. (2017). ChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds. F1000Research, 6.
DOI:10.12688/f1000research.12095.1

Medina-Franco, J. L., & Naveja, J. J. (2017). ChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds. F1000Research, 6.
DOI:10.12688/f1000research.12095.2

Méndez-Lucio, O., & Medina-Franco, J. L. (2017). The many roles of molecular complexity in drug discovery. Drug Discovery Today, 22(1), 120-126.
DOI:10.1016/j.drudis.2016.08.009

García-Sánchez, M. O., Cruz-Monteagudo, M., & Medina-Franco, J. L. (2017). Quantitative structure-epigenetic activity relationships. Advances in QSAR Modeling, 24, 303-338.
DOI:10.1007/978-3-319-56850-8_8

Saldívar-González, F., Prieto-Martínez, F. D., & Medina-Franco, J. L. (2017). Drug discovery and development: A computational approach. [Descubrimiento y desarrollo de fármacos: un enfoque computacional] Educación Química, 28(1), 51-58.
DOI:10.1016/j.eq.2016.06.002

Paguigan, N. D., Al-Huniti, M. H., Raja, H. A., Czarnecki, A., Burdette, J. E., González-Medina, M., Medina-Franco, J. L., Polyak, S. J., Pearce, C. J., Croatt, M. P., & Oberlies, N. H. (2017). Chemoselective fluorination and chemoinformatic analysis of griseofulvin: Natural vs fluorinated fungal metabolites. Bioorganic and Medicinal Chemistry, 25(20), 5238-5246.
DOI:10.1016/j.bmc.2017.07.041

Mendez-Cuesta, C. A., Herrera-Rueda, M. A., Hidalgo-Figueroa, S., Tlahuext, H., Moo-Puc, R., Chale-Dzul, J. B., Chan-Bacab, M., Ortega-Morales, B. O., Hernandez-Nunez, E., Mendez-Lucio, O., Medina-Franco, J. L., & Navarrete-Vazquez, G. (2017). Synthesis, screening and in silico simulations of anti-parasitic Propamidine/Benzimidazole derivatives. Medicinal Chemistry (Shariqah (United Arab Emirates)), 13(2), 137-148.
DOI:10.2174/1573406412666160811112408

González-Medina, M., Prieto-Martínez, F. D., Owen, J. R., & Medina-Franco, J. L.* (2016). Consensus diversity plots: A global diversity analysis of chemical libraries. Journal of Cheminformatics, 8(1), 1-11.
DOI:10.1186/s13321-016-0176-9

EPI-INFORMATICS: Discovery and Development of Small Molecule Epigenetic Drugs and Probes (JL Medina-Franco, Editor), Academic Press, Londres, 2016.
DOI:10.1002/cmdc.201700076

Medina-Franco, J. L.*, Méndez-Lucio, O., Dueñas-González, A., & Yoo, J. (2015). Discovery and development of DNA methyltransferase inhibitors using in silico approaches. Drug Discovery Today, 20(5), 569-577.
DOI:10.1016/j.drudis.2014.12.007

Garella, D., Atlante, S., Borretto, E., Cocco, M., Giorgis, M., Costale, A., Stevanato, L., Miglio, G., Cencioni, C., Fernández-de Gortari, E., Medina-Franco, J. L., Spallotta, F., Gaetano, C., & Bertinaria, M. (2016). Design and synthesis of N-benzoyl amino acid derivatives as DNA methylation inhibitors. Chemical Biology and Drug Design, 664-676.
DOI:10.1111/cbdd.12794

Aldawsari, F. S., Aguayo-Ortiz, R., Kapilashrami, K., Yoo, J., Luo, M., Medina-Franco, J. L., & Velázquez-Martínez, C. A. (2016). Resveratrol-salicylate derivatives as selective DNMT3 inhibitors and anticancer agents. Journal of Enzyme Inhibition and Medicinal Chemistry, 31(5), 695-703.
DOI:10.3109/14756366.2015.1058256

Naveja, J. J., Cortés-Benítez, F., Bratoeff, E., & Medina-Franco, J. L. (2016). Activity landscape analysis of novel 5 α -reductase inhibitors. Molecular Diversity, 20(3), 771-780.
DOI:10.1007/s11030-016-9659-x

González-Medina, M., Prieto-Martínez, F. D., Naveja, J. J., Méndez-Lucio, O., El-Elimat, T., Pearce, C. J., Oberlies, N. H., Figueroa, M., & Medina-Franco, J. L. (2016). Chemoinformatic expedition of the chemical space of fungal products. Future Medicinal Chemistry, 8(12), 1399-1412.
DOI:10.4155/fmc-2016-0079

Méndez-Lucio, O., Naveja, J. J., Vite-Caritino, H., Prieto-Martínez, F. D., & Medina-Franco, J. L. (2016). Review. one drug for multiple targets: A computational perspective. Journal of the Mexican Chemical Society, 60(3), 168-181.

Trejo-Soto, P. J., Aguayo-Ortiz, R., Yépez-Mulia, L., Hernández-Campos, A., Medina-Franco, J. L., & Castillo, R. (2016). Insights into the structure and inhibition of giardia intestinalis arginine deiminase: Homology modeling, docking, and molecular dynamics studies. Journal of Biomolecular Structure and Dynamics, 34(4), 732-748.
DOI:10.1080/07391102.2015.1051115

Aldawsari, F. S., Aguiar, R. P., Wiirzler, L. A. M., Aguayo-Ortiz, R., Aljuhani, N., Cuman, R. K. N., Medina-Franco, J. L., Siraki, A. G., & Velázquez-Martínez, C. A. (2016). Anti-inflammatory and antioxidant properties of a novel resveratrol-salicylate hybrid analog. Bioorganic and Medicinal Chemistry Letters, 26(5), 1411-1415.
DOI:10.1016/j.bmcl.2016.01.069

Duenas-Gonzalez, A., Medina-Franco, J. L., Chavez-Blanco, A., Dominguez-Gomez, G., & Fernández-De Gortari, E. (2016). Developmental DNA methyltransferase inhibitors in the treatment of gynecologic cancers. Expert Opinion on Pharmacotherapy, 17(3), 323-338.
DOI:10.1517/14656566.2016.1118053

Prieto-Martínez, F. D., Gortari, E. F. -D., Méndez-Lucio, O., & Medina-Franco, J. L. (2016). A chemical space odyssey of inhibitors of histone deacetylases and bromodomains. RSC Advances, 6(61), 56225-56239.
DOI:10.1039/c6ra07224k

Prieto-Martínez, F. D., Peña-Castillo, A., Méndez-Lucio, O., Fernández-de Gortari, E., & Medina-Franco, J. L. (2016). Molecular modeling and chemoinformatics to advance the development of modulators of epigenetic targets: A focus on DNA methyltransferases. Advances in Protein Chemistry and Structural Biology, 105, 1-26.
DOI:10.1016/bs.apcsb.2016.05.001

Vite-Caritino, H., Méndez-Lucio, O., Reyes, H., Cabrera, A., Chávez, D., & Medina-Franco, J. L. (2016). Advances in the development of pyridinone derivatives as non-nucleoside reverse transcriptase inhibitors. RSC Advances, 6(3), 2119-2130.
DOI:10.1039/c5ra25722k

Cruz-Monteagudo, M., Medina-Franco, J. L., Perera-Sardiña, Y., Borges, F., Tejera, E., Paz-Y-miño, C., Pérez-Castillo, Y., Sánchez-Rodríguez, A., Contreras-Posada, Z., & Cordeiro, M. N. D. S. (2016). Probing the hypothesis of SAR continuity restoration by the removal of activity cliffs generators in QSAR. Current Pharmaceutical Design, 22(33), 5043-5056.
DOI:10.2174/1381612822666160509124337

Méndez-Cuesta, C. A., Herrera-Rueda, M. A., Hidalgo-Figueroa, S., Tlahuext, H., Moo-Puc, R., Chale-Dzul, J. B., Chan-Bacab, M., Ortega-Morales, B. O., Hernández-Núñez, E., Méndez-Lucio, O., Medina-Franco, J. L., & NavarreteVázquez, G. (2016). Synthesis, screening and in silico simulations of anti-parasitic propamidine/benzimidazole derivatives. Medicinal Chemistry, 12, 1-12.
DOI:10.2174/1573406412666160811112408

Medina-Franco, J. L.*, Giulianotti, M. A., Welmaker, G. S., & Houghten, R. A. (2013). Shifting from the single to the multitarget paradigm in drug discovery. Drug Discovery Today, 18(9-10), 495-501.
DOI:10.1016/j.drudis.2013.01.008

Medina-Franco, J. L.* (2012). Scanning structure-activity relationships with structure-activity similarity and related maps: From consensus activity cliffs to selectivity switches. Journal of Chemical Information and Modeling, 52(10), 2485-2493.
DOI:10.1021/ci300362x