JOSE LUIS MEDINA FRANCO

Entidad: Facultad de Química, UNAM

Telefono: 56223899, ext. 44458

Email: medinajl@unam.mx

Url:

Departamento: --

Línea de trabajo y/o generación del conocimiento: Química Teórica y Computacional


Tesis Doctorado

TesisAlumno
CARACTERIZACION DE LA DIVERSIDAD MOLECULAR, COBERTURA DEL ESPACIO QUIMICO Y RECONOCIMIENTO MOLECULAR DE INHIBIDORES DE DNA METILTRANSFERASAS ELI ANTONIO ALONSO FERNANDEZ DE GORTARI
<p>ESTUDIO DE MODELADO MOLECULAR Y CRIBADO VIRTUAL SOBRE BROMODOMINIOS BRD4 Y BRDT</p> FERNANDO DANIEL PRIETO MARTINEZ
<p>SUITE COMPUTACIONAL PARA LA NAVEGACION DE ESPACIOS QUIMIOGENOMICOS</p> NORBERTO SANCHEZ CRUZ

Tesis Maestría

TesisAlumno
DIVERSIDAD Y DISTRIBUCIÓN EN EL ESPACIO QUÍMICO DE PÉPTIDOS PARA EL DESARROLLO DE FÁRMACOS BARBARA ITZEL DIAZ EUFRACIO
Diseño computacional de moduladores de DNMT-3B OSCAR PALOMINO HERNANDEZ
Estudio de modelado molecular y quimioinformática de moduladores de blancos terapéuticos epigenéticos, Promedio 9.00 FERNANDO DANIEL PRIETO MARTINEZ

Publicaciones:

  • Developmental DNA methyltransferase inhibitors in the treatment of gynecologic cancers
    Alfonso, Duenas-Gonzalez,Medina-Franco José, L.,Alma, Chavez-Blanco,Guadalupe, Dominguez-Gomez,Eli,
    Expert Opinion on Pharmacotherapy 2015, (), , -
    doi: 10.1517/14656566.2016.1118053
  • Density Functional Theory and Electrochemical Studies: Structure–Efficiency Relationship on Corrosion Inhibition
    Camacho-Mendoza, Rosa L.,Gutiérrez-Moreno, Evelin,Guzmán-Percástegui, Edmundo,Aquino-Torres, Eliazar
    Journal of Chemical Information and Modeling 2015, (55), 11, 2391 - 2402
    doi: 10.1021/acs.jcim.5b00385
  • Epigenetic relevant chemical space: a chemoinformatic characterization of inhibitors of DNA methyltransferases
    Gortari, Eli Fernández-de,Medina-Franco, José L.
    RSC Adv. 2015, (5), 106, 87465 - 87476
    doi: 10.1039/c5ra19611f
  • Interaction Fingerprints and Their Applications to Identify Hot Spots
    Marmolejo, Andrés F.,Medina-Franco, José L.,Giulianotti, Marc,Martinez-Mayorga, Karina
    Methods in Molecular Biology 2015, (), , 313 - 324
    doi: 10.1007/978-1-4939-2914-6_20
  • Activity landscape of DNA methyltransferase inhibitors bridges chemoinformatics with epigenetic drug discovery
    Naveja, J Jesús,Medina-Franco, José L
    Expert Opinion on Drug Discovery 2015, (10), 10, 1059 - 1070
    doi: 10.1517/17460441.2015.1073257
  • Activity landscape sweeping: insights into the mechanism of inhibition and optimization of DNMT1 inhibitors
    Naveja, J. Jesús,Medina-Franco, José L.
    RSC Adv. 2015, (5), 78, 63882 - 63895
    doi: 10.1039/C5RA12339A
  • Activity cliffs and activity cliff generators based on chemotype-related activity landscapes
    Pérez-Villanueva, Jaime,Méndez-Lucio, Oscar,Soria-Arteche, Olivia,Medina-Franco, José L.
    Molecular Diversity 2015, (19), 4, 1021 - 1035
    doi: 10.1007/s11030-015-9609-z
  • Activity and property landscape modeling is at the interface of chemoinformatics and medicinal chemistry
    Medina-Franco, José L,Navarrete-Vázquez, Gabriel,Méndez-Lucio, Oscar
    Future Medicinal Chemistry 2015, (7), 9, 1197 - 1211
    doi: 10.4155/fmc.15.51
  • Resveratrol-salicylate derivatives as selective DNMT3 inhibitors and anticancer agents
    Aldawsari, Fahad S.,Aguayo-Ortiz, Rodrigo,Kapilashrami, Kanishk,Yoo, Jakyung,Luo, Minkui,Medina-Fran
    Journal of Enzyme Inhibition and Medicinal Chemistry 2015, (), , 1 - 9
    doi: 10.3109/14756366.2015.1058256
  • Avances en el diseño de fármacos asistido por computadora
    Medina-Franco, José L.,Fernández-de Gortari, Eli,Naveja, J. Jesús
    Educación Química 2015, (26), 3, 180 - 186
    doi: 10.1016/j.eq.2015.05.002
  • Insights into the structure and inhibition of Giardia intestinalis arginine deiminase: homology modeling, docking, and molecular dynamics studies
    Trejo-Soto, Pedro Josué,Aguayo-Ortiz, Rodrigo,Yépez-Mulia, Lilián,Hernández-Campos, Alicia,Medina-Fr
    Journal of Biomolecular Structure and Dynamics 2015, (), , 1 - 17
    doi: 10.1080/07391102.2015.1051115
  • Combinatorial Libraries As a Tool for the Discovery of Novel, Broad-Spectrum Antibacterial Agents Targeting the ESKAPE Pathogens
    Fleeman, Renee,LaVoi, Travis M.,Santos, Radleigh G.,Morales, Angela,Nefzi, Adel,Welmaker, Gregory S.
    J. Med. Chem. 2015, (58), 8, 3340 - 3355
    doi: 10.1021/jm501628s
  • Ribavirin as a tri-targeted antitumor repositioned drug
    De la Cruz-Hernandez, Erick,Medina-Franco, Jose,Trujillo, Jaenai,Chavez-Blanco, Alma,Dominguez-Gomez
    Oncology Reports 2015, (), , -
    doi: 10.3892/or.2015.3816 ·
  • How to Valorize Biodiversity? Letʼs Go Hashing, Extracting, Filtering, Mining, Fishing
    Do, Quoc,Medina-Franco, José,Scior, Thomas,Bernard, Philippe
    Planta Med 2015, (81), 06, 436 - 449
    doi: 10.1055/s-0034-1396314
  • Analyzing Multitarget Activity Landscapes Using Protein–Ligand Interaction Fingerprints: Interaction Cliffs
    Méndez-Lucio, Oscar,Kooistra, Albert J.,Graaf, Chris de,Bender, Andreas,Medina-Franco, José L.
    Journal of Chemical Information and Modeling 2015, (55), 2, 251 - 262
    doi: 10.1021/ci500721x
  • Discovery and development of DNA methyltransferase inhibitors using in silico approaches
    Medina-Franco, José L.,Méndez-Lucio, Oscar,Dueñas-González, Alfonso,Yoo, Jakyung
    Drug Discovery Today 2015, (20), 5, 569 - 577
    doi: 10.1016/j.drudis.2014.12.007
  • The Interplay Between Molecular Modeling and Chemoinformatics to Characterize Protein–Ligand and Protein–Protein Interactions Landscapes for Drug Discovery
    Medina-Franco, José L.,Méndez-Lucio, Oscar,Martinez-Mayorga, Karina
    Advances in Protein Chemistry and Structural Biology 2014, (), , 1 - 37
    doi: 10.1016/bs.apcsb.2014.06.001
  • Synthesis and highly potent hypolipidemic activity of alpha-asarone- and fibrate-based 2-acyl and 2-alkyl phenols as HMG-CoA reductase inhibitors
    Mendieta, Aarón,Jiménez, Fabiola,Garduño-Siciliano, Leticia,Mojica-Villegas, Angélica,Rosales-Acosta
    Bioorganic & Medicinal Chemistry 2014, (22), 21, 5871 - 5882
    doi: 10.1016/j.bmc.2014.09.022
  • Progress in the Analysis of Multiple Activity Profile of Screening Data Using Computational Approaches
    Kuyoc-Carrillo, Vicente F.,Medina-Franco, José L.
    Drug Dev. Res. 2014, (75), 5, 313 - 323
    doi: 10.1002/ddr.21209
  • Synthesis, in vitro and in silico studies of a PPARγ and GLUT-4 modulator with hypoglycemic effect
    Navarrete-Vázquez, Gabriel,Torres-Gómez, Héctor,Hidalgo-Figueroa, Sergio,Ramírez-Espinosa, Juan José
    Bioorganic & Medicinal Chemistry Letters 2014, (24), 18, 4575 - 4579
    doi: 10.1016/j.bmcl.2014.07.068
  • Analysis of structure-Caco-2 permeability relationships using a property landscape approach
    Rojas-Aguirre, Yareli,Medina-Franco, José L.
    Molecular Diversity 2014, (18), 3, 599 - 610
    doi: 10.1007/s11030-014-9514-x
  • On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?
    Guha, Rajarshi,Medina-Franco, José L
    Journal of Cheminformatics 2014, (6), 1, 11 -
    doi: 10.1186/1758-2946-6-11
  • Toward Drug Repurposing in Epigenetics: Olsalazine as a Hypomethylating Compound Active in a Cellular Context
    Méndez-Lucio, Oscar,Tran, Jeremy,Medina-Franco, José L.,Meurice, Nathalie,Muller, Mark
    ChemMedChem 2014, (9), 3, 560 - 565
    doi: 10.1002/cmdc.201300555
  • Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
    Cruz-Monteagudo, Maykel,Medina-Franco, José L.,Pérez-Castillo, Yunierkis,Nicolotti, Orazio,Cordeiro,
    Drug Discovery Today 2014, (19), 8, 1069 - 1080
    doi: 10.1016/j.drudis.2014.02.003
  • Rationalization of Activity Cliffs of a Sulfonamide Inhibitor of DNA Methyltransferases with Induced-Fit Docking
    Medina-Franco, José,Méndez-Lucio, Oscar,Yoo, Jakyung
    IJMS 2014, (15), 2, 3253 - 3261
    doi: 10.3390/ijms15023253
  • Design and synthesis of α-conotoxin GID analogues as selective α4β2 nicotinic acetylcholine receptor antagonists
    Banerjee, Jayati,Yongye, Austin B.,Chang, Yi-Pin,Gyanda, Reena,Medina-Franco, José L.,Armishaw, Chri
    Biopolymers 2014, (102), 1, 78 - 87
    doi: 10.1002/bip.22413
  • 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
    Navarrete-Vázquez, Gabriel,Morales-Vilchis, Maria Guadalupe,Estrada-Soto, Samuel,Ramírez-Espinosa, J
    European Journal of Medicinal Chemistry 2014, (74), , 179 - 186
    doi: 10.1016/j.ejmech.2013.12.042
  • Balancing novelty with confined chemical space in modern drug discovery
    Medina-Franco, José L,Martinez-Mayorga, Karina,Meurice, Nathalie
    Expert Opinion on Drug Discovery 2014, (9), 2, 151 - 165
    doi: 10.1517/17460441.2014.872624
  • Chemoinformatic characterization of activity and selectivity switches of antiprotozoal compounds
    Aguayo-Ortiz, Rodrigo,Pérez-Villanueva, Jaime,Hernández-Campos, Alicia,Castillo, Rafael,Meurice, Nat
    Future Medicinal Chemistry 2014, (6), 3, 281 - 294
    doi: 10.4155/fmc.13.173
  • Integrating virtual and biochemical screening for protein tyrosine phosphatase inhibitor discovery
    Martin, Katie R.,Narang, Pooja,Medina-Franco, José L.,Meurice, Nathalie,MacKeigan, Jeffrey P.
    Methods 2014, (65), 2, 219 - 228
    doi: 10.1016/j.ymeth.2013.08.013
  • Progress in the Visualization and Mining of Chemical and Target Spaces
    Medina-Franco, José L.,Aguayo-Ortiz, Rodrigo
    Mol. Inf. 2013, (32), 11-12, 942 - 953
    doi: 10.1002/minf.201300041
  • Conditional Probabilistic Analysis for Prediction of the Activity Landscape and Relative Compound Activities
    Santos, Radleigh G.,Giulianotti, Marc A.,Houghten, Richard A.,Medina-Franco, José L.
    Journal of Chemical Information and Modeling 2013, (53), 10, 2613 - 2625
    doi: 10.1021/ci400243e
  • Molecular basis for benzimidazole resistance from a novel β-tubulin binding site model
    Aguayo-Ortiz, Rodrigo,Méndez-Lucio, Oscar,Romo-Mancillas, Antonio,Castillo, Rafael,Yépez-Mulia, Lili
    Journal of Molecular Graphics and Modelling 2013, (45), , 26 - 37
    doi: 10.1016/j.jmgm.2013.07.008
  • Systematic Mining of Generally Recognized as Safe (GRAS) Flavor Chemicals for Bioactive Compounds
    Martinez-Mayorga, Karina,Peppard, Terry L.,López-Vallejo, Fabian,Yongye, Austin B.,Medina-Franco, Jo
    J. Agric. Food Chem. 2013, (61), 31, 7507 - 7514
    doi: 10.1021/jf401019b
  • Selective Agonists and Antagonists of Formylpeptide Receptors: Duplex Flow Cytometry and Mixture-Based Positional Scanning Libraries
    Pinilla, C.,Edwards, B. S.,Appel, J. R.,Yates-Gibbins, T.,Giulianotti, M. A.,Medina-Franco, J. L.,Yo
    Molecular Pharmacology 2013, (84), 3, 314 - 324
    doi: 10.1124/mol.113.086595
  • Rapid Scanning Structure–Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches
    Medina-Franco, José L.,Edwards, Bruce S.,Pinilla, Clemencia,Appel, Jon R.,Giulianotti, Marc A.,Santo
    Journal of Chemical Information and Modeling 2013, (53), 6, 1475 - 1485
    doi: 10.1021/ci400192y
  • Toward an Efficient Approach to Identify Molecular Scaffolds Possessing Selective or Promiscuous Compounds
    Yongye, Austin B.,Medina-Franco, José L.
    Chem Biol Drug Des 2013, (82), 4, 367 - 375
    doi: 10.1111/cbdd.12162
  • Molecular Modeling Studies of the Novel Inhibitors of DNA Methyltransferases SGI-1027 and CBC12: Implications for the Mechanism of Inhibition of DNMTs
    Yoo, Jakyung,Choi, Sun,Medina-Franco, José L.
    PLoS ONE 2013, (8), 4, e62152 -
    doi: 10.1371/journal.pone.0062152
  • Systematic characterization of structure–activity relationships and ADMET compliance: a case study
    Yongye, Austin B.,Medina-Franco, José L.
    Drug Discovery Today 2013, (18), 15-16, 732 - 739
    doi: 10.1016/j.drudis.2013.04.002
  • Discovery, synthesis and in combo studies of a tetrazole analogue of clofibric acid as a potent hypoglycemic agent
    Navarrete-Vázquez, Gabriel,Alaniz-Palacios, Alfredo,Hidalgo-Figueroa, Sergio,González-Acevedo, Crist
    Bioorganic & Medicinal Chemistry Letters 2013, (23), 11, 3244 - 3247
    doi: 10.1016/j.bmcl.2013.03.122
  • Docking of a novel DNA methyltransferase inhibitor identified from high-throughput screening: insights to unveil inhibitors in chemical databases
    Medina-Franco, José L.,Yoo, Jakyung
    Molecular Diversity 2013, (17), 2, 337 - 344
    doi: :10.1007/s11030-013-9428-z
  • Antihyperglycemic and sub-chronic antidiabetic actions of morolic and moronic acids, in vitro and in silico inhibition of 11β-HSD 1
    Ramírez-Espinosa, Juan José,García-Jiménez, Sara,Rios, Maria Yolanda,Medina-Franco, José L.,López-Va
    Phytomedicine 2013, (20), 7, 571 - 576
    doi: 10.1016/j.phymed.2013.01.013
  • Towards the identification of the binding site of benzimidazoles to β-tubulin of Trichinella spiralis: Insights from computational and experimental data
    Aguayo-Ortiz, Rodrigo,Méndez-Lucio, Oscar,Medina-Franco, José L.,Castillo, Rafael,Yépez-Mulia, Liliá
    Journal of Molecular Graphics and Modelling 2013, (41), , 12 - 19
    doi: 10.1016/j.jmgm.2013.01.007
  • Cyclic Systems Distribution Along Similarity Measures: Insights for an Application to Activity Landscape Modeling
    Pérez-Villanueva, Jaime,Méndez-Lucio, Oscar,Soria-Arteche, Olivia,Izquierdo, Teresa,Concepción Lozad
    Mol. Inf. 2013, (32), 2, 179 - 190
    doi: 10.1002/minf.201200127
  • Activity Cliffs: Facts or Artifacts?
    Medina-Franco, José L.
    Chem Biol Drug Des 2013, (81), 5, 553 - 556
    doi: 10.1111/cbdd.12115
  • Shifting from the single to the multitarget paradigm in drug discovery
    Medina-Franco, José L.,Giulianotti, Marc A.,Welmaker, Gregory S.,Houghten, Richard A.
    Drug Discovery Today 2013, (18), 9-10, 495 - 501
    doi: 10.1016/j.drudis.2013.01.008
  • Molecular Modeling and Virtual Screening of DNA Methyltransferase Inhibitors
    L. Medina-Franco, Jose,Yoo, Jakyung
    CPD 2013, (19), 12, 2138 - 2147
    doi: 10.2174/1381612811319120002
  • Bioactivity landscape modeling: Chemoinformatic characterization of structure–activity relationships of compounds tested across multiple targets
    Waddell, Jacob,Medina-Franco, José L.
    Bioorganic & Medicinal Chemistry 2012, (20), 18, 5443 - 5452
    doi: 10.1016/j.bmc.2011.11.051
  • Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps
    Méndez-Lucio, Oscar,Pérez-Villanueva, Jaime,Castillo, Rafael,Medina-Franco, José L.
    Mol. Inf. 2012, (31), 11-12, 837 - 846
    doi: 10.1002/minf.201200078
  • Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products
    Medina-Franco, José L.,Martínez-Mayorga, Karina,Peppard, Terry L.,Del Rio, Alberto
    PLoS ONE 2012, (7), 11, e50798 -
    doi: 10.1371/journal.pone.0050798
  • Interrogating Novel Areas of Chemical Space for Drug Discovery using Chemoinformatics
    Medina-Franco, José L.
    Drug Dev. Res. 2012, (73), 7, 430 - 438
    doi: 10.1002/ddr.21034 ·
  • Scanning Structure–Activity Relationships with Structure–Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches
    Medina-Franco, José L.
    Journal of Chemical Information and Modeling 2012, (52), 10, 2485 - 2493
    doi: 10.1021/ci300362x
  • A cell-based fascin bioassay identifies compounds with potential anti-metastasis or cognition-enhancing functions
    Kraft, R.,Kahn, A.,Medina-Franco, J. L.,Orlowski, M. L.,Baynes, C.,Lopez-Vallejo, F.,Barnard, K.,Mag
    Disease Models & Mechanisms 2012, (6), 1, 217 - 235
    doi: 10.1242/dmm.008243
  • CASE Plots for the Chemotype-Based Activity and Selectivity Analysis: A CASE Study of Cyclooxygenase Inhibitors
    Pérez-Villanueva, Jaime,Medina-Franco, José L.,Méndez-Lucio, Oscar,Yoo, Jakyung,Soria-Arteche, Olivi
    Chemical Biology & Drug Design 2012, (80), 5, 752 - 762
    doi: 10.1111/cbdd.12019
  • Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds
    Yongye, Austin B.,Medina-Franco, José L.
    Journal of Chemical Information and Modeling 2012, (52), 9, 2454 - 2461
    doi: 10.1021/ci3002606
  • Molecular Scaffold Analysis of Natural Products Databases in the Public Domain
    Yongye, Austin B.,Waddell, Jacob,Medina-Franco, José L.
    Chemical Biology & Drug Design 2012, (80), 5, 717 - 724
    doi: 10.1111/cbdd.12011
  • Towards the Chemoinformatic-Based Identification of DNA Methyltransferase Inhibitors: 2D- and 3D-Similarity Profile of Screening Libraries
    Yoo, Jakyung,Luis Medina-Franco, Jose
    Current Computer Aided-Drug Design 2012, (8), 4, 317 - 329
    doi: 10.2174/157340912803519606
  • Inhibitors of DNA Methyltransferases: Insights from Computational Studies
    Yoo, J.,L. Medina-Franco, J.
    CMC 2012, (19), 21, 3475 - 3487
    doi: 10.2174/092986712801323289
  • Vasorelaxant activity of some structurally related triterpenic acids from Phoradendron reichenbachianum (Viscaceae) mainly by NO production: Ex vivo and in silico studies
    Rios, Maria Yolanda,López-Martínez, Sugey,López-Vallejo, Fabian,Medina-Franco, José L.,Villalobos-Mo
    Fitoterapia 2012, (83), 6, 1023 - 1029
    doi: 10.1016/j.fitote.2012.05.014
  • A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis
    López-Vallejo, Fabian,Waddell, Jacob,Yongye, Austin B,Houghten, Richard A,Medina-Franco, José L
    Journal of Cheminformatics 2012, (4), Suppl 1, P26 -
    doi: 10.1186/1758-2946-4-S1-P26
  • Effects of Cyclic Lipodepsipeptide Structural Modulation on Stability, Antibacterial Activity, and Human Cell Toxicity
    Bionda, Nina,Stawikowski, Maciej,Stawikowska, Roma,Cudic, Maré,López-Vallejo, Fabian,Treitl, Daniela
    ChemMedChem 2012, (7), 5, 871 - 882
    doi: 10.1002/cmdc.201200016
  • 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
    Navarrete-Vazquez, Gabriel,Ramírez-Martínez, Marleth,Estrada-Soto, Samuel,Nava-Zuazo, Carlos,Paoli,
    European Journal of Medicinal Chemistry 2012, (53), , 346 - 355
    doi: 10.1016/j.ejmech.2012.04.025
  • Activity landscape modeling of PPAR ligands with dual-activity difference maps
    Méndez-Lucio, Oscar,Pérez-Villanueva, Jaime,Castillo, Rafael,Medina-Franco, José L.
    Bioorganic & Medicinal Chemistry 2012, (20), 11, 3523 - 3532
    doi: 10.1016/j.bmc.2012.04.005
  • Expanding the medicinally relevant chemical space with compound libraries
    López-Vallejo, Fabian,Giulianotti, Marc A.,Houghten, Richard A.,Medina-Franco, José L.
    Drug Discovery Today 2012, (17), 13-14, 718 - 726
    doi: 10.1016/j.drudis.2012.04.001
  • Recognizing Pitfalls in Virtual Screening: A Critical Review
    Scior, Thomas,Bender, Andreas,Tresadern, Gary,Medina-Franco, José L.,Martínez-Mayorga, Karina,Langer
    Journal of Chemical Information and Modeling 2012, (52), 4, 867 - 881
    doi: 10.1021/ci200528d
  • Computational study on the inhibition mechanism of cruzain by nitrile-containing molecules
    Méndez-Lucio, Oscar,Romo-Mancillas, Antonio,Medina-Franco, José L.,Castillo, Rafael
    Journal of Molecular Graphics and Modelling 2012, (35), , 28 - 35
    doi: 10.1016/j.jmgm.2012.01.003
  • Molecular Modeling of Inhibitors of Human DNA Methyltransferase with a Crystal Structure
    Yoo, Jakyung,Kim, Joo Hee,Robertson, Keith D.,Medina-Franco, José L.
    Structural and Mechanistic Enzymology - Bringing Together Experiments and Computing 2012, (), , 219 - 247
    doi: 10.1016/B978-0-12-398312-1.00008-1
  • Computational methods for the discovery of mood disorder therapies
    López-Vallejo, Fabian,Peppard, Terry L,Medina-Franco, José L,Martínez-Mayorga, Karina
    Expert Opinion on Drug Discovery 2011, (6), 12, 1227 - 1245
    doi: 10.1517/17460441.2011.637106
  • Characterization of a comprehensive flavor database
    Martínez-Mayorga, Karina,Peppard, Terry L.,Yongye, Austin B.,Santos, Radleigh,Giulianotti, Marc,Medi
    J. Chemometrics 2011, (25), 10, 550 - 560
    doi: 10.1002/cem.1399
  • Synthesis and Biochemical Evaluation of Δ 2 -Isoxazoline Derivatives as DNA Methyltransferase 1 Inhibitors
    Castellano, Sabrina,Kuck, Dirk,Viviano, Monica,Yoo, Jakyung,López-Vallejo, Fabian,Conti, Paola,Tambo
    J. Med. Chem. 2011, (54), 21, 7663 - 7677
    doi: 10.1021/jm2010404
  • Transient pockets on XIAP-BIR2: toward the characterization of putative binding sites of small-molecule XIAP inhibitors
    Eyrisch, Susanne,Medina-Franco, Jose L.,Helms, Volkhard
    Journal of Molecular Modeling 2011, (18), 5, 2031 - 2042
    doi: 10.1007/s00894-011-1217-y
  • Multitarget Structure–Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure
    Medina-Franco, José L.,Yongye, Austin B.,Pérez-Villanueva, Jaime,Houghten, Richard A.,Martínez-Ma
    Journal of Chemical Information and Modeling 2011, (51), 9, 2427 - 2439
    doi: 10.1021/ci200281v
  • Benzotriazoles and Indazoles Are Scaffolds with Biological Activity against Entamoeba histolytica
    Lopez-Vallejo, F.,Castillo, R.,Yepez-Mulia, L.,Medina-Franco, J. L.
    Journal of Biomolecular Screening 2011, (16), 8, 862 - 868
    doi: 10.1177/1087057111414902
  • Molecular dynamics simulations of human DNA methyltransferase 3B with selective inhibitor nanaomycin A
    Caulfield, Thomas,Medina-Franco, José L.
    Journal of Structural Biology 2011, (176), 2, 185 - 191
    doi: 10.1016/j.jsb.2011.07.015
  • Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of some benzimidazole derivatives with trichomonicidal activity
    Pérez-Villanueva, Jaime,Medina-Franco, José L.,Caulfield, Thomas R.,Hernández-Campos, Alicia,Hernánd
    European Journal of Medicinal Chemistry 2011, (46), 8, 3499 - 3508
    doi: 10.1016/j.ejmech.2011.05.016
  • Trimethylaurintricarboxylic acid inhibits human DNA methyltransferase 1: insights from enzymatic and molecular modeling studies
    Yoo, Jakyung,Medina-Franco, José L.
    Journal of Molecular Modeling 2011, (18), 4, 1583 - 1589
    doi: 10.1007/s00894-011-1191-4
  • Parallel synthesis of novel antitumor agents: 1,2,3-triazoles bearing biologically active sulfonamide moiety and their 3D-QSAR
    Ou, Lili,Han, Shuang,Ding, Wenbo,Jia, Ping,Yang, Bo,Medina-Franco, Jose L.,Giulianotti, Marc A.,Chen
    Molecular Diversity 2011, (15), 4, 927 - 946
    doi: 10.1007/s11030-011-9324-3
  • Integrating Virtual Screening and Combinatorial Chemistry for Accelerated Drug Discovery
    Lopez-Vallejo, Fabian,Caulfield, Thomas,Martinez-Mayorga, Karina,A. Giulianotti, Marc,Nefzi, Adel,A.
    Combinatorial Chemistry & High Throughput Screening 2011, (14), 6, 475 - 487
    doi: 10.2174/138620711795767866
  • Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations
    Yongye, Austin B.,Byler, Kendall,Santos, Radleigh,Martínez-Mayorga, Karina,Maggiora, Gerald M.,Medi
    Journal of Chemical Information and Modeling 2011, (51), 6, 1259 - 1270
    doi: 10.1021/ci200081k
  • Visualization of Molecular Fingerprints
    Owen, John R.,Nabney, Ian T.,Medina-Franco, José L.,López-Vallejo, Fabian
    Journal of Chemical Information and Modeling 2011, (51), 7, 1552 - 1563
    doi: 10.1021/ci1004042
  • Homology modeling, docking and structure-based pharmacophore of inhibitors of DNA methyltransferase
    Yoo, Jakyung,Medina-Franco, José L.
    Journal of Computer-Aided Molecular Design 2011, (25), 6, 555 - 567
    doi: 10.1007/s10822-011-9441-1
  • Antidiabetic activity of some pentacyclic acid triterpenoids, role of PTP–1B: In vitro, in silico, and in vivo approaches
    Ramírez-Espinosa, Juan José,Rios, Maria Yolanda,López-Martínez, Sugey,López-Vallejo, Fabian,Medina-F
    European Journal of Medicinal Chemistry 2011, (46), 6, 2243 - 2251
    doi: 10.1016/j.ejmech.2011.03.005
  • Advances in the computational development of DNA methyltransferase inhibitors
    Medina-Franco, José L.,Caulfield, Thomas
    Drug Discovery Today 2011, (16), 9-10, 418 - 425
    doi: 10.1016/j.drudis.2011.02.003
  • Increased Diversity of Libraries from Libraries: Chemoinformatic Analysis of Bis-Diazacyclic Libraries
    López-Vallejo, Fabian,Nefzi, Adel,Bender, Andreas,Owen, John R.,Nabney, Ian T.,Houghten, Richard A.,
    Chemical Biology & Drug Design 2011, (77), 5, 328 - 342
    doi: 10.1111/j.1747-0285.2011.01100.x
  • Chemoinformatic Approaches for Inhibitors of DNA Methyltransferases: Comprehensive Characterization of Screening Libraries
    Yoo, Jakyung,Medina-Franco, José Luis
    CMB 2011, (01), 01, 7 - 16
    doi: 10.4236/cmb.2011.11002
  • Structure–activity relationships of benzimidazole derivatives as antiparasitic agents: Dual activity-difference (DAD) maps
    Pérez-Villanueva, Jaime,Santos, Radleigh,Hernández-Campos, Alicia,Giulianotti, Marc A.,Castillo, Raf
    Med. Chem. Commun. 2011, (2), 1, 44 - 49
    doi: 10.1039/C0MD00159G
  • Integrating computational and mixture-based screening of combinatorial libraries
    Yongye, Austin B.,Pinilla, Clemencia,Medina-Franco, Jose L.,Giulianotti, Marc A.,Dooley, Colette T.,
    Journal of Molecular Modeling 2010, (17), 6, 1473 - 1482
    doi: 10.1007/s00894-010-0850-1
  • Natural products as DNA methyltransferase inhibitors: a computer-aided discovery approach
    Medina-Franco, Jose L.,López-Vallejo, Fabian,Kuck, Dirk,Lyko, Frank
    Molecular Diversity 2010, (15), 2, 293 - 304
    doi: 10.1007/s11030-010-9262-5
  • Nanaomycin A Selectively Inhibits DNMT3B and Reactivates Silenced Tumor Suppressor Genes in Human Cancer Cells
    Kuck, D.,Caulfield, T.,Lyko, F.,Medina-Franco, J. L.
    Molecular Cancer Therapeutics 2010, (9), 11, 3015 - 3023
    doi: 10.1158/1535-7163.MCT-10-0609
  • Traceless solid-phase synthesis of N-substituted 3,5-bis(substituted-idene)piperidin-4-one derivatives
    Liu, Zhang,Medina-Franco, Jose L.,Houghten, Richard A.,Giulianotti, Marc A.
    Tetrahedron Letters 2010, (51), 38, 5003 - 5004
    doi: 10.1016/j.tetlet.2010.07.072
  • Towards a systematic characterization of the antiprotozoal activity landscape of benzimidazole derivatives
    Pérez-Villanueva, Jaime,Santos, Radleigh,Hernández-Campos, Alicia,Giulianotti, Marc A.,Castillo, Raf
    Bioorganic & Medicinal Chemistry 2010, (18), 21, 7380 - 7391
    doi: 10.1016/j.bmc.2010.09.019
  • Docking of Protein Kinase B Inhibitors: Implications in the Structure-Based Optimization of a Novel Scaffold
    Hernández-Campos, Alicia,Velázquez-Martínez, Israel,Castillo, Rafael,López-Vallejo, Fabian,Jia, Ping
    Chemical Biology & Drug Design 2010, (), , no - no
    doi: 10.1111/j.1747-0285.2010.01002.x
  • Design, synthesis, and docking of highly hypolipidemic agents: Schizosaccharomyces pombe as a new model for evaluating α-asarone-based HMG-CoA reductase inhibitors
    Argüelles, Nancy,Sánchez-Sandoval, Eugenia,Mendieta, Aarón,Villa-Tanaca, Lourdes,Garduño-Siciliano,
    Bioorganic & Medicinal Chemistry 2010, (18), 12, 4238 - 4248
    doi: 10.1016/j.bmc.2010.04.096
  • A comparative study of flavonoid analogues on streptozotocin–nicotinamide induced diabetic rats: Quercetin as a potential antidiabetic agent acting via 11β-Hydroxysteroid dehydrogenase type 1 inhibition
    Torres-Piedra, Mariana,Ortiz-Andrade, Rolffy,Villalobos-Molina, Rafael,Singh, Narender,Medina-Franco
    European Journal of Medicinal Chemistry 2010, (45), 6, 2606 - 2612
    doi: 10.1016/j.ejmech.2010.02.049
  • Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation
    Kuck, Dirk,Singh, Narender,Lyko, Frank,Medina-Franco, Jose L.
    Bioorganic & Medicinal Chemistry 2010, (18), 2, 822 - 829
    doi: 10.1016/j.bmc.2009.11.050

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