2017


González-Medina M, Naveja J, Sánchez-Cruz N, Medina-Franco JL. Open chemoinformatic resources to explore the structure, properties and chemical space of molecules. RSC ADVANCES, 7, 54153-54163.

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Open chemoinformatic resources to explore the structure, properties and chemical space of molecules
2017_RSCAdv_Servers.pdf
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Sánchez-Rodríguez A, Pérez-Castillo Y, Schürer SC, Nicolotti O, Mangiatordi GF, Borges F, Cordeiro MN, Tejera E, Medina-Franco JL and Cruz-Monteagudo M. 2017.  From Flamingo Dance to (Desirable) Drug Discovery: A Nature-Inspired Approach DRUG DISCOVERY TODAY,  22,  1489-1502.

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From flamingo dance to (desirable) drug discovery: a nature-inspired approach
1-s2.0-S1359644617302908-main.pdf
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Medina-Franco J and Martinez-Mayorga K. 2018.  Uncovering Activity Cliff Generators Using Distribution of SALI Values TIP REVISTA ESPECIALIZADA EN CIENCIAS QUIMICO-BIOLOGICAS,  21,  14-23. 

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Uncovering Activity Cliff Generators Using Distribution of SALI Values TIP
61767-179604-1-PB.pdf
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Noemi D. Paguigan, Mohammed H. Al-Huniti, Huzefa A. Raja, Austin Czarnecki, Joanna E. Burdette, Mariana González-Medina, José L. Medina-Franco, Stephen J. Polyak, Cedric J. Pearce, Mitchell P. Croatt, Nicholas H. Oberlies (2017) Chemoselective fluorination and chemoinformatic analysis of griseofulvin: Natural vs fluorinated fungal metabolites BIOORGANIC AND MEDICINAL CHEMISTRY, 25 (2017) 5238–5246.

 

 

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Chemoselective fluorination and chemoinformatic analysis of griseofulvin: Natural vs fluorinated fungal metabolites
1-s2.0-S0968089617312324-main.pdf
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Mariana González-Medina,  John R. Owen, Tamam El-Elimat, Cedric J Pearce, Nicholas H Oberlies, Mario Figueroa, Jose L Medina-Franco (2017) Scaffold Diversity of Fungal Metabolites FRONTIERS IN PHARMACOLOGY, 8, 180 (2017).

 

 

Fernanda I Saldívar-González, J Jesús Naveja, Oscar Palomino-Hernández, José L Medina-Franco (2017)  Getting SMARt in Drug Discovery: Chemoinformatics Approaches for Mining Structure-Multiple Activity Relationships RSC ADVANCES7:  632-641. 

 

 

 

 

Oscar Méndez-Lucio, José L Medina-Franco (2017)  The Many Roles of Molecular Complexity in Drug Discovery DRUG DISCOVERY TODAY 22:  120-126.

 

 

 

 

 

Fernanda Saldívar-González, Fernando D Prieto-Martínez, José L Medina-Franco (2017)  Drug Discovery and Development: A Computational Approach EDUCACION QUIMICA 28:  51-58. 

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Scaffold Diversity of Fungal Metabolites
fphar-08-00180 (1).pdf
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Getting SMARt in Drug Discovery: Chemoinformatics Approaches for Mining Structure-Multiple Activity Relationships
Getting SMARt in drug discovery.pdf
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The Many Roles of Molecular Complexity in Drug Discovery
1-s2.0-S1359644616302975-main.pdf
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Descubrimiento y desarrollo de fármacos: un enfoque computacional
1-s2.0-S0187893X16300301-main.pdf
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2016


Mariana González-Medina,  Fernando Daniel Prieto-Martínez, John R. Owen,  José L Medina-Franco (2016) Consensus Diversity Plots: a global diversity analysis of chemical libraries JOURNAL OF CHEMINFORMATICS, 8(1):63.

 

 

   

Oscar Méndez-Lucio, J Jesús Naveja, Hugo Vite-Caritino, Fernando Daniel Prieto-Martínez, José L Medina-Franco (2016) One Drug for Multiple Targets: A Computational Perspective JOURNAL OF THE MEXICAN CHEMICAL SOCIETY60:  168-181.

 

 

 

Elena Pacheco-Martínez, Evangelina Figueroa-Medina, Carlos Villarreal, Germinal Cocho, José L Medina-Franco, Oscar Méndez-Lucio, Leonor Huerta (2016)  Statistical correlation of nonconservative substitutions of HIV gp41 variable amino acid residues with the R5X4 HIV-1 phenotype VIROLOGY JOURNAL 13:28.

 

 

Fahad S Aldawsari, Rodrigo Aguayo-Ortiz, Kanishk Kapilashrami, Jakyung Yoo, Minkui Luo, José L Medina-Franco, Carlos A Velázquez-Martínez (2016)  Resveratrol-salicylate derivatives as selective DNMT3 inhibitors and anticancer agents JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY 31(5),695-703.

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Consensus Diversity Plots: a global diversity analysis of chemical libraries
art%3A10.1186%2Fs13321-016-0176-9.pdf
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Review. One Drug for Multiple Targets: A Computational Perspective
10JMCS16070.pdf
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Statistical correlation of nonconservative substitutions of HIV gp41 variable amino acid residues with the R5X4 HIV-1 phenotype
VirologyJournal.pdf
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Resveratrol-salicylate derivatives as selective DNMT3 inhibitors and anticancer agents
Resveratrol salicylate derivatives as se
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2015


José L Medina-Franco, Eli Fernández-De-Gortari y J Jesús Naveja (2015)  Progress in computer-aided drug design EDUCACION QUIMICA 26:  180-186 JUL15.

 

 

 

 

De la Cruz-Hernández, E, Medina-Franco, J L Trujillo, J, A Chávez-Blanco, G Domínquez-Gómez, E Pérez-Cárdenas, A González-Fierro, L Taja-Chayeb, A Duenas-Gonzalez (2015)  Ribavirin as a tri-targeted antitumor repositioned drug ONCOLOGY REPORTS 33:  2384-2392 MAY 2015. 

 

 

Rajarshi Guha, José L Medina-Franco (2014)  On the Validity versus Utility of Activity Landscapes: Are all Activity Cliffs Statistically Significant? JOURNAL OF CHEMINFORMATICS 6:  11 APR 2014. 

 

 

 

 

José L Medina-Franco, Oscar Méndez-Lucio, Jakyung Yoo (2014)  Rationalization of Activity Cliffs of a Sulfonamide Inhibitor of DNA Methyltransferases with Induced-fit Docking INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 15:  3253-3261 FEB 2014. 

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Avances en el diseno de fármacos asistido por computadora
pdf1581.pdf
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Ribavirin as a tri-targeted antitumor repositioned drug
or_33_5_2384_PDF.pdf
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On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?
are all activity cliffs statistically si
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Rationalization of Activity Cliffs of a Sulfonamide Inhibitor of DNA Methyltransferases with Induced-Fit Docking
ijms-15-03253.pdf
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2014


Katie R Martin, Pooja Narang, José L Medina-Franco, Nathalie Meurice, Jeffrey P MacKeigan (2014)  Integrating Virtual and Biochemical Screening for Protein Tyrosine Phosphatase Inhibitor Discovery METHODS 66:  219-228 JAN 2014.  

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Integrating virtual and biochemical screening for protein tyrosine phosphatase inhibitor discovery
1-s2.0-S1046202313003186-main.pdf
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2013


José L Medina-Franco (2013)  Advances in Computational Approaches for Drug Discovery Based on Natural Products REVISTA LATINOAMERICANA DE QUÍMICA 41:  2.  95-110. 

 

 

 

 

Clemencia Pinilla, Bruce S Edwards, Jon R Appel, Tina Yates-Gibbins, Marc A Giulianotti, Jose L Medina-Franco, Susan M Young, Radleigh G Santos, Larry A Sklar, Richard A Houghten (2013)  Selective Agonists and Antagonists of Formylpeptide Receptors: Duplex Flow Cytometry and Mixture-based Positional Scanning Libraries MOLECULAR PHARMACOLOGY 84:  314-324 SEP 2013. 

 

 

 

Jakyung Yoo, Sun Choi, José L Medina-Franco (2013)  Molecular modeling studies of the novel inhibitors of DNA methyltransferases SGI-1027 and CBC12: implications for the mechanism of inhibition of DNMTs PLoS ONE 8:  4.  e62152. 

 

 

 

 

José L Medina-Franco, Marc A Giulianotti, Gregory S Welmaker, Richard A Houghten (2013)  Shifting from the single to the multitarget paradigm in drug discovery DRUG DISCOVERY TODAY 18:  495–501 MAY 2013. 

 

 

 

Robert Kraft, Allon Kahn, José L Medina-Franco, Mikayla L Orlowski, Cayla Baynes, Fabian López-Vallejo, Kobus Barnard, Gerald M Maggiora, Linda L Restifo (2013)  A cell-based fascin bioassay for multi-purpose compound screening DISEASE MODELS AND MECHANISMS 6:  217-235 JAN 2013. 

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ADVANCES IN COMPUTATIONAL APPROACHES FOR DRUG DISCOVERY BASED ON NATURAL PRODUCTS
p2013412-95.pdf
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Selective Agonists and Antagonists of Formylpeptide Receptors: Duplex Flow Cytometry and Mixture-Based Positional Scanning Libraries
314full.pdf
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Molecular Modeling Studies of the Novel Inhibitors of DNA Methyltransferases SGI-1027 and CBC12: Implications for the Mechanism of Inhibition of DNMTs
journalpone0062152.PDF
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Shifting from the single to the multitarget paradigm in drug discovery
Shifting from the single to the multitar
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A cell-based fascin bioassay identifies compounds with potential anti-metastasis or cognition-enhancing functions
217full.pdf
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2012


José L Medina-Franco, Karina Martínez-Mayorga, Terry L Peppard, Alberto Del Rio (2012)  Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products PLoS One 7:  11.  e50798. 

 

 

 

 

José L Medina-Franco (2012)  Drug Discovery with Novel Chemical Libraries DRUG DESIGNING 1:  e105.

 

 

 

 

José L Medina-Franco, Jacob Waddell (2012)  Towards the Bioassay Activity Landscape Modeling in Compound Databases JOURNAL OF THE MEXICAN CHEMICAL SOCIETY 56:  2.  163-168

 

 

 

Jakyung Yoo, José L Medina-Franco (2012)  Computer-guided discovery of epigenetics drugs: molecular modeling and identification of inhibitors of DNMT1 JOURNAL OF CHEMOINFORMATICS 4(Suppl 1):  May 2012. 

 

 

 

 

José L Medina-Franco, Austin B Yongye, Jaime Pérez-Villanueva, Richard A Houghten, Karina Martínez-Mayorga (2012)  Activity-difference maps and consensus similarity measure characterize structure-activity relationships JOURNAL OF CHEMOINFORMATICS 4(Suppl 1):  May 2012. 

 

 

Fabian López-Vallejo, Jacob Waddell, Austin B Yongye, Richard A Houghten, José L Medina-Franco (2012)  A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis JOURNAL OF CHEMOINFORMATICS 4(Suppl 1):  P26 May 2012. 

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Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products
journal.pone.0050798.PDF
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drug-discovery-with-novel-chemical-libra
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Towards the Bioassay Activity Landscape Modeling in Compound Databases
Towards the Bioassay Activity Landscape
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Computer-guided discovery of epigenetics drugs: molecular modeling and identification of inhibitors of DNMT1
Computer-guided discovery of epigenetics
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Activity-difference maps and consensus similarity measure characterize structure-activity relationships
Activity-difference maps and consensus s
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A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis
A large scale classification of molecula
Adobe Acrobat Document 235.0 KB

2010

Christopher J Armishaw, Narender Singh, Jose L Medina-Franco, Richard J Clark, Krystle C M Scott, Richard A Houghten, Anders A Jensen (2010)  A Synthetic Combinatorial Strategy for Developing alpha-Conotoxin Analogs as Potent alpha(7) Nicotinic Acetylcholine Receptor Antagonists JOURNAL OF BIOLOGICAL CHEMISTRY 285:  3.  1809-1821 JAN 15 2010. 

 

 

Dirk Kuck, Thomas Caulfield, Frank Lyko, Jose L Medina-Franco (2010)  Nanaomycin A Selectively Inhibits DNMT3B and Reactivates Silenced Tumor Suppressor Genes in Human Cancer Cells MOLECULAR CANCER THERAPEUTICS 9:  11.  3015-3023 NOV 2010

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A Synthetic Combinatorial Strategy for Developing alpha-Conotoxin Analogs as Potent alpha(7) Nicotinic Acetylcholine Receptor Antagonists
J. Biol. Chem.-2010-Armishaw-1809-21.pdf
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3015.full.pdf
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2009


Narender Singh, Rajarshi Guha, Marc A Giulianotti, Clemencia Pinilla, Richard A Houghten, Jose L Medina-Franco (2009)  Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository JOURNAL OF CHEMICAL INFORMATION AND MODELING 49:  4.  1010-1024 APR 2009. 

 

 

Austin B Yongye, Jon R Appel, Marc A Giulianotti, Colette T Dooley, Jose L Medina-Franco, Adel Nefzi, Richard A Houghten, Karina Martinez-Mayorga (2009)  Identification, structure-activity relationships and molecular modeling of potent triamine and piperazine opioid ligands BIOORGANIC & MEDICINAL CHEMISTRY 17:  15.  5583-5597 AUG 1 2009. 

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Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository
nihms104033.pdf
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Identification, structure-activity relationships and molecular modeling of potent triamine and piperazine opioid ligands
1-s2.0-S0968089609005896-main.pdf
Adobe Acrobat Document 1.4 MB

2008


Karina Martinez-Mayorga, Jose L Medina-Franco, Marc A Giulianotti, Clemencia Pinilla, Colette T Dooley, Jon R Appel, Richard A Houghten (2008)  Conformation-opioid activity relationships of bicyclic guanidines from 3D similarity analysis BIOORGANIC & MEDICINAL CHEMISTRY 16: 5932-5938 JUN 1 2008. 

 

 

Alfonso Duenas-Gonzalez, Patricia Garcia-Lopez, Luis Alonso Herrera, Jose Luis Medina-Franco, Aurora Gonzalez-Fierro, Myrna Candelaria (2008)  The prince and the pauper. A tale of anticancer targeted agents MOLECULAR CANCER 7:  OCT 23 2008. 

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Conformation-opioid activity relationships of bicyclic guanidines from 3D similarity analysis
1-s2.0-S0968089608003891-main.pdf
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The prince and the pauper. A tale of anticancer targeted agents
art%3A10.1186%2F1476-4598-7-82.pdf
Adobe Acrobat Document 1.1 MB

2007


José L Medina-Franco (2007)  Aplicaciones Exitosas del Diseño de Fármacos Utilizando Métodos Computacionales Ciencia 59:  1-8. 

 

 

 

 

 

Jose L Medina-Franco, Gerald M Maggiora, Marc A Giulianotti, Clemencia Pinilla, Richard A Houghten (2007)  A similarity-based data-fusion approach to the visual characterization and comparison of compound databases CHEMICAL BIOLOGY & DRUG DESIGN 70:  5.  393-412 NOV 2007. 

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Aplicaciones Exitosas del Diseño de Fármacos Utilizando Métodos Computacionales
aplicaciones_exitosas.pdf
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A similarity-based data-fusion approach to the visual characterization and comparison of compound databases
j.1747-0285.2007.00579.x.pdf
Adobe Acrobat Document 1.4 MB

2006


José L Medina-Franco, Fabián López-Vallejo, Rafael Castillo (2006)  Computer-Aided Drug Design. EDUCACION QUIMICA 17:  452-457. 

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Computer-Aided Drug Design
pdf949.pdf
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2005


Olivia Soria-Arteche, Rafael Castillo, Alicia Hernández-Campos, Marcela Hurtado-de la Peña, Gabriel Navarrete-Vázquez, José L Medina-Franco, Kathia Gómez-Flores (2005)  Studies on the selective S-oxidation of albendazole, fenbendazole, triclabendazole, and other benzimidazole sulfides JOURNAL OF THE MEXICAN CHEMICAL SOCIETY 49:  4.  353-358. 

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Studies on the selective S-oxidation of albendazole, fenbendazole, triclabendazole, and other benzimidazole sulfides
08-Arteche.pdf
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