Works by Medina‐Franco, José L.

Results: 104

Quimioinformática, Inteligencia Artificial y la Química de Alimentos.

Published in:

TIP Revista Especializada en Ciencias Químico-Biológicas, 2024, v. 27, p. 1, doi. 10.22201/fesz.23958723e.2024.652

By:

Avellaneda-Tamayo, Juan F.;
Sánchez-Ruiz, Andrés;
Savic, Biljana;
Medina-Franco, José L.;
Colmenarejo, Gonzalo

Publication type:

Article

DISEÑO DE FÁRMACOS ASISTIDO POR COMPUTADORA: CUANDO LA INFORMÁTICA, LA QUÍMICA Y EL ARTE SE ENCUENTRAN.

Published in:

TIP Revista Especializada en Ciencias Químico-Biológicas, 2018, v. 21, n. 2, p. 124, doi. 10.22201/fesz.23958723e.2018.2.139

By:

Prieto-Martínez, Fernando D.;
Medina-Franco, José L.

Publication type:

Article

MOLECULAR DOCKING: CURRENT ADVANCES AND CHALLENGES.

Published in:

TIP Revista Especializada en Ciencias Químico-Biológicas, 2018, v. 21, p. 65, doi. 10.22201/fesz.23958723e.2018.0.143

By:

Prieto-Martínez, Fernando D.;
Arciniega, Marcelino;
Medina-Franco, José L.

Publication type:

Article

UNCOVERING ACTIVITY CLIFF GENERATORS USING DISTRIBUTION OF SALI VALUES.

Published in:

TIP Revista Especializada en Ciencias Químico-Biológicas, 2018, v. 21, n. 1, p. 14, doi. 10.1016/j.recqb.2017.08.002

By:

Medina-Franco, José L.;
Martinez-Mayorga, Karina

Publication type:

Article

Scaffold Diversity of Fungal Metabolites.

Published in:

Frontiers in Pharmacology, 2017, v. 8, p. 1, doi. 10.3389/fphar.2017.00180

By:

González-Medina, Mariana;
Owen, John R.;
El-Elimat, Tamam;
Pearce, Cedric J.;
Oberlies, Nicholas H.;
Figueroa, Mario;
Medina-Franco, José L.

Publication type:

Article

KNIME Workflows for Chemoinformatic Characterization of Chemical Databases.

Published in:

Molecular Informatics, 2025, v. 44, n. 2, p. 1, doi. 10.1002/minf.202400337

By:

Ramírez‐Márquez, Carlos D.;
Medina‐Franco, José L.

Publication type:

Article

MAYA (Multiple ActivitY Analyzer): An Open Access Tool to Explore Structure‐Multiple Activity Relationships in the Chemical Universe.

Published in:

Molecular Informatics, 2025, v. 44, n. 2, p. 1, doi. 10.1002/minf.202400306

By:

Espinoza‐Castañeda, J. Israel;
Medina‐Franco, José L.

Publication type:

Article

BIOMX‐DB: A web application for the BIOFACQUIM natural product database.

Published in:

Molecular Informatics, 2024, v. 43, n. 11, p. 1, doi. 10.1002/minf.202400060

By:

Martínez‐Urrutia, Fernando;
Medina‐Franco, José L.

Publication type:

Article

Updating and profiling the natural product‐likeness of Latin American compound libraries.

Published in:

Molecular Informatics, 2024, v. 43, n. 7, p. 1, doi. 10.1002/minf.202400052

By:

Gómez‐García, Alejandro;
Prinz, Ann‐Kathrin;
Jiménez, Daniel A. Acuña;
Zamora, William J.;
Barazorda‐Ccahuana, Haruna L.;
Chávez‐Fumagalli, Miguel Á.;
Valli, Marilia;
Andricopulo, Adriano D.;
da S. Bolzani, Vanderlan;
Olmedo, Dionisio A.;
Solís, Pablo N.;
Núñez, Marvin J.;
Rodríguez Pérez, Johny R.;
Sánchez, Hoover A. Valencia;
Cortés Hernández, Héctor F.;
Mosquera Martinez, Oscar M.;
Koch, Oliver;
Medina‐Franco, José L.

Publication type:

Article

Exploring activity landscapes with extended similarity: is Tanimoto enough?

Published in:

Molecular Informatics, 2023, v. 42, n. 7, p. 1, doi. 10.1002/minf.202300056

By:

Dunn, Timothy B.;
López‐López, Edgar;
Kim, Taewon David;
Medina‐Franco, José L.;
Miranda‐Quintana, Ramón Alain

Publication type:

Article

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

Published in:

Molecular Informatics, 2023, v. 42, n. 1, p. 1, doi. 10.1002/minf.202200166

By:

López‐López, Edgar;
Cerda‐García‐Rojas, Carlos M.;
Medina‐Franco, José L.

Publication type:

Article

Chemical Multiverse: An Expanded View of Chemical Space.

Published in:

Molecular Informatics, 2022, v. 41, n. 11, p. 1, doi. 10.1002/minf.202200116

By:

Medina‐Franco, José L.;
Chávez‐Hernández, Ana L.;
López‐López, Edgar;
Saldívar‐González, Fernanda I.

Publication type:

Article

Chemoinformatic Characterization of Synthetic Screening Libraries Focused on Epigenetic Targets.

Published in:

Molecular Informatics, 2022, v. 41, n. 6, p. 1, doi. 10.1002/minf.202100285

By:

Flores‐Padilla, E. Alexis;
Juárez‐Mercado, K. Eurídice;
Naveja, José J.;
Kim, Taewon D.;
Alain Miranda‐Quintana, Ramón;
Medina‐Franco, José L.

Publication type:

Article

Chemoinformatic Analysis of Isothiocyanates: Their Impact in Nature and Medicine.

Published in:

Molecular Informatics, 2021, v. 40, n. 11, p. 1, doi. 10.1002/minf.202100172

By:

Guerrero‐Alonso, Araceli;
Antunez‐Mojica, Mayra;
Medina‐Franco, José L.

Publication type:

Article

Cover Picture: Consistent Cell‐selective Analog Series as Constellation Luminaries in Chemical Space (Mol. Inf. 12/2020).

Published in:

Molecular Informatics, 2020, v. 39, n. 12, p. 1, doi. 10.1002/minf.202081201

By:

Naveja, J. Jesús;
Medina‐Franco, José L.

Publication type:

Article

Consistent Cell‐selective Analog Series as Constellation Luminaries in Chemical Space.

Published in:

Molecular Informatics, 2020, v. 39, n. 12, p. 1, doi. 10.1002/minf.202000061

By:

Naveja, J. Jesús;
Medina‐Franco, José L.

Publication type:

Article

A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization.

Published in:

Molecular Informatics, 2020, v. 39, n. 11, p. 1, doi. 10.1002/minf.202000050

By:

Chávez-Hernández, Ana L.;
Sánchez-Cruz, Norberto;
Medina-Franco, José L.

Publication type:

Article

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

Published in:

Molecular Informatics, 2020, v. 39, n. 11, p. 1, doi. 10.1002/minf.202000035

By:

Díaz-Eufracio, Bárbara I.;
Palomino-Hernández, Oscar;
Arredondo-Sánchez, Aarón;
Medina-Franco, José L.

Publication type:

Article

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

Published in:

Molecular Informatics, 2020, v. 39, n. 3, p. 1, doi. 10.1002/minf.201900099

By:

Santibáñez‐Morán, Marisa G.;
Medina‐Franco, José L.

Publication type:

Article

Cover Picture: The Acid/Base Profile of a Large Food Chemical Database (Mol. Inf. 6/2019).

Published in:

Molecular Informatics, 2019, v. 38, n. 6, p. N.PAG, doi. 10.1002/minf.201980601

By:

Santibáñez‐Morán, Marisa G.;
Rico‐Hidalgo, Mariel P.;
Manallack, David T.;
Medina‐Franco, José L.

Publication type:

Article

The Acid/Base Profile of a Large Food Chemical Database.

Published in:

Molecular Informatics, 2019, v. 38, n. 6, p. N.PAG, doi. 10.1002/minf.201800171

By:

Santibáñez‐Morán, Marisa G.;
Rico‐Hidalgo, Mariel P.;
Manallack, David T.;
Medina‐Franco, José L.

Publication type:

Article

Progress in the Visualization and Mining of Chemical and Target Spaces.

Published in:

Molecular Informatics, 2013, v. 32, n. 11/12, p. 942, doi. 10.1002/minf.201300041

By:

Medina‐Franco, José L.;
Aguayo‐Ortiz, Rodrigo

Publication type:

Article

Cyclic Systems Distribution Along Similarity Measures: Insights for an Application to Activity Landscape Modeling.

Published in:

Molecular Informatics, 2013, v. 32, n. 2, p. 179, doi. 10.1002/minf.201200127

By:

Pérez‐Villanueva, Jaime;
Méndez‐Lucio, Oscar;
Soria‐Arteche, Olivia;
Izquierdo, Teresa;
Concepción Lozada, M.;
Gloria‐Greimel, Walter A.;
Medina‐Franco, José L.

Publication type:

Article

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

Published in:

Molecular Informatics, 2012, v. 31, n. 11/12, p. 837, doi. 10.1002/minf.201200078

By:

Méndez-Lucio, Oscar;
Pérez-Villanueva, Jaime;
Castillo, Rafael;
Medina-Franco, José L.

Publication type:

Article

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

Published in:

Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/1758-2946-6-11

By:

Guha, Rajarshi;
Medina-Franco, José L.

Publication type:

Article

A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis.

Published in:

2012

By:

López-Vallejo, Fabian;
Waddell, Jacob;
Yongye, Austin B.;
Houghten, Richard A.;
Medina-Franco, José L.

Publication type:

Abstract

Computer-guided discovery of epigenetics drugs: molecular modeling and identification of inhibitors of DNMT1.

Published in:

2012

By:

Yoo, Jakyung;
Medina-Franco, José L.

Publication type:

Abstract

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

Published in:

2012

By:

Medina-Franco, José L.;
Yongye, Austin B.;
Pérez-Villanueva, Jaime;
Houghten, Richard A.;
Martínez-Mayorga, Karina

Publication type:

Abstract

Fragment Library of Colombian Natural Products: Generation and Comparative Chemoinformatic Analysis.

Published in:

Drugs & Drug Candidates, 2024, v. 3, n. 4, p. 736, doi. 10.3390/ddc3040042

By:

Chávez-Hernández, Ana L.;
Rodríguez-Pérez, Johny R.;
Cortés-Hernández, Héctor F.;
Valencia-Sanchez, Hoover A.;
Chávez-Fumagalli, Miguel Á.;
Medina-Franco, José L.

Publication type:

Article

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

Published in:

Bioinformatics, 2021, v. 37, n. 10, p. 1376, doi. 10.1093/bioinformatics/btaa982

By:

Sánchez-Cruz, Norberto;
Medina-Franco, José L;
Mestres, Jordi;
Barril, Xavier

Publication type:

Article

Identification of SARS-CoV-2 Main Protease Inhibitors Using Chemical Similarity Analysis Combined with Machine Learning.

Published in:

Pharmaceuticals (14248247), 2024, v. 17, n. 2, p. 240, doi. 10.3390/ph17020240

By:

Juárez-Mercado, Karina Eurídice;
Gómez-Hernández, Milton Abraham;
Salinas-Trujano, Juana;
Córdova-Bahena, Luis;
Espitia, Clara;
Pérez-Tapia, Sonia Mayra;
Medina-Franco, José L.;
Velasco-Velázquez, Marco A.

Publication type:

Article

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

Published in:

Pharmaceuticals (14248247), 2023, v. 16, n. 10, p. 1388, doi. 10.3390/ph16101388

By:

Gómez-García, Alejandro;
Jiménez, Daniel A. Acuña;
Zamora, William J.;
Barazorda-Ccahuana, Haruna L.;
Chávez-Fumagalli, Miguel Á.;
Valli, Marilia;
Andricopulo, Adriano D.;
Bolzani, Vanderlan da S.;
Olmedo, Dionisio A.;
Solís, Pablo N.;
Núñez, Marvin J.;
Rodríguez Pérez, Johny R.;
Valencia Sánchez, Hoover A.;
Cortés Hernández, Héctor F.;
Medina-Franco, José L.

Publication type:

Article

Expanding the Structural Diversity of DNA Methyltransferase Inhibitors.

Published in:

Pharmaceuticals (14248247), 2021, v. 14, n. 1, p. 17, doi. 10.3390/ph14010017

By:

Juárez-Mercado, K. Eurídice;
Prieto-Martínez, Fernando D.;
Sánchez-Cruz, Norberto;
Peña-Castillo, Andrea;
Prada-Gracia, Diego;
Medina-Franco, José L.

Publication type:

Article

Art driven by visual representations of chemical space.

Published in:

Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00770-4

By:

Gaytán-Hernández, Daniela;
Chávez-Hernández, Ana L.;
López-López, Edgar;
Miranda-Salas, Jazmín;
Saldívar-González, Fernanda I.;
Medina-Franco, José L.

Publication type:

Article

Art driven by visual representations of chemical space.

Published in:

Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00770-4

By:

Gaytán-Hernández, Daniela;
Chávez-Hernández, Ana L.;
López-López, Edgar;
Miranda-Salas, Jazmín;
Saldívar-González, Fernanda I.;
Medina-Franco, José L.

Publication type:

Article

School of cheminformatics in Latin America.

Published in:

Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00758-0

By:

Gonzalez-Ponce, Karla;
Horta Andrade, Carolina;
Hunter, Fiona;
Kirchmair, Johannes;
Martinez-Mayorga, Karina;
Medina-Franco, José L.;
Rarey, Matthias;
Tropsha, Alexander;
Varnek, Alexandre;
Zdrazil, Barbara

Publication type:

Article

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

Published in:

Journal of Cheminformatics, 2022, v. 14, n. 1, p. 1, doi. 10.1186/s13321-022-00661-0

By:

Bajorath, Jürgen;
Chávez-Hernández, Ana L.;
Duran-Frigola, Miquel;
Fernández-de Gortari, Eli;
Gasteiger, Johann;
López-López, Edgar;
Maggiora, Gerald M.;
Medina-Franco, José L.;
Méndez-Lucio, Oscar;
Mestres, Jordi;
Miranda-Quintana, Ramón Alain;
Oprea, Tudor I.;
Plisson, Fabien;
Prieto-Martínez, Fernando D.;
Rodríguez-Pérez, Raquel;
Rondón-Villarreal, Paola;
Saldívar-Gonzalez, Fernanda I.;
Sánchez-Cruz, Norberto;
Valli, Marilia

Publication type:

Article

Resveratrol-salicylate derivatives as selective DNMT3 inhibitors and anticancer agents.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2016, v. 31, n. 5, p. 695, doi. 10.3109/14756366.2015.1058256

By:

Aldawsari, Fahad S.;
Aguayo-Ortiz, Rodrigo;
Kapilashrami, Kanishk;
Yoo, Jakyung;
Luo, Minkui;
Medina-Franco, José L.;
Velázquez-Martínez, Carlos A.

Publication type:

Article

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

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-34729-0

By:

Barazorda-Ccahuana, Haruna L.;
Ranilla, Lena Gálvez;
Candia-Puma, Mayron Antonio;
Cárcamo-Rodriguez, Eymi Gladys;
Centeno-Lopez, Angela Emperatriz;
Davila-Del-Carpio, Gonzalo;
Medina-Franco, José L.;
Chávez-Fumagalli, Miguel Angel

Publication type:

Article

Developmental DNA methyltransferase inhibitors in the treatment of gynecologic cancers.

Published in:

Expert Opinion on Pharmacotherapy, 2016, v. 17, n. 3, p. 323, doi. 10.1517/14656566.2016.1118053

By:

Duenas-Gonzalez, Alfonso;
Medina-Franco, José L.;
Chavez-Blanco, Alma;
Dominguez-Gomez, Guadalupe;
Fernández-de Gortari, Eli

Publication type:

Article

Lessons from Exploring Chemical Space and Chemical Diversity of Propolis Components.

Published in:

International Journal of Molecular Sciences, 2020, v. 21, n. 14, p. 4988, doi. 10.3390/ijms21144988

By:

Tran, Trong D.;
Ogbourne, Steven M.;
Brooks, Peter R.;
Sánchez-Cruz, Norberto;
Medina-Franco, José L.;
Quinn, Ronald J.

Publication type:

Article

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

Published in:

International Journal of Molecular Sciences, 2014, v. 15, n. 2, p. 3253, doi. 10.3390/ijms15023253

By:

Medina-Franco, José L.;
Méndez-Lucio, Oscar;
Jakyung Yoo

Publication type:

Article

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

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 6, p. 555, doi. 10.1007/s10822-011-9441-1

By:

Yoo, Jakyung;
Medina-Franco, José L.

Publication type:

Article

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

Published in:

Journal of Cellular Biochemistry, 2023, v. 124, n. 8, p. 1173, doi. 10.1002/jcb.30440

By:

Magdaleno, Jorge Samuel Leon;
Grewal, Ravneet K.;
Medina‐Franco, José L.;
Oliva, Romina;
Shaikh, Abdul Rajjak;
Cavallo, Luigi;
Chawla, Mohit

Publication type:

Article

Neglected Tropical Diseases: A Chemoinformatics Approach for the Use of Biodiversity in Anti-Trypanosomatid Drug Discovery.

Published in:

Biomolecules (2218-273X), 2024, v. 14, n. 8, p. 1033, doi. 10.3390/biom14081033

By:

Valli, Marilia;
Döring, Thiago H.;
Marx, Edgard;
Ferreira, Leonardo L. G.;
Medina-Franco, José L.;
Andricopulo, Adriano D.

Publication type:

Article

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

Published in:

Biomolecules (2218-273X), 2024, v. 14, n. 7, p. 775, doi. 10.3390/biom14070775

By:

Prado-Romero, Diana L.;
Saldívar-González, Fernanda I.;
López-Mata, Iván;
Laurel-García, Pedro A.;
Durán-Vargas, Adrián;
García-Hernández, Enrique;
Sánchez-Cruz, Norberto;
Medina-Franco, José L.

Publication type:

Article

Anthocyanins: Molecular Aspects on Their Neuroprotective Activity.

Published in:

Biomolecules (2218-273X), 2023, v. 13, n. 11, p. 1598, doi. 10.3390/biom13111598

By:

Zaa, César A.;
Marcelo, Álvaro J.;
An, Zhiqiang;
Medina-Franco, José L.;
Velasco-Velázquez, Marco A.

Publication type:

Article

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

Published in:

Biomolecules (2218-273X), 2023, v. 13, n. 1, p. 176, doi. 10.3390/biom13010176

By:

López-López, Edgar;
Medina-Franco, José L.

Publication type:

Article

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

Published in:

Biomolecules (2218-273X), 2022, v. 12, n. 11, p. 1649, doi. 10.3390/biom12111649

By:

Cortez-Trejo, Maria C.;
Olivas-Aguirre, Francisco J.;
Dufoo-Hurtado, Elisa;
Castañeda-Moreno, Raquel;
Villegas-Quintero, Hassan;
Medina-Franco, José L.;
Mendoza, Sandra;
Wall-Medrano, Abraham

Publication type:

Article

Progress and Impact of Latin American Natural Product Databases.

Published in:

Biomolecules (2218-273X), 2022, v. 12, n. 9, p. 1202, doi. 10.3390/biom12091202

By:

Gómez-García, Alejandro;
Medina-Franco, José L.

Publication type:

Article