Biography

Prof. José L. Medina-Franco
National Autonomous University of Mexico, Mexico


Email: medinajl@unam.mx


Qualifications

2007  Postdoctor, Computer-aided drug design, University of Arizona, USA

2005  Ph.D., Chemistry and Computer-aided drug design, National Autonomous University of Mexico, USA
2002  M.S., Medicinal Chemistry, National Autonomous University of Mexico, USA
1998  B.S., Chemistry, National Autonomous University of Mexico, USA


Publications

  1. Medina-Franco, J. L.; Caulfield, T. Advances in the Computational Development of DNA Methyltransferase Inhibitors. Drug Discovery Today, 2011, 16, 418-425.
  2. Yoo, J.; Medina-Franco, J. L. Homology Modeling, Docking, and Structure-based Pharmacophore of Inhibitors of DNA Methyltransferase, J. Comp.-Aided Mol. Des., 2011, 25, 555-567.
  3. Caulfield, T.; Medina-Franco, J. L. Molecular Dynamics Simulations of Human DNA Methyltransferase 3B with Selective Inhibitor Nanaomycin A. J. Struct. Biol., 2011, 176, 185-191.
  4. Medina-Franco, J. L.; Yongye, A. B.; Pérez-Villanueva, J.; Houghten, R. A.; Martínez-Mayorga, K. Multi-target Structure-Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure J. Chem. Inf. Model., 2011, 51, 2427-2439.
  5. Yongye, A. B.; Byler, K.; Santos, R.; Martinez-Mayorga, K.; Maggiora G. M.; Medina-Franco, J. L. Consensus Models of Activity Landscapes with Multiple Chemical, Conformer and Property Representations. J. Chem. Inf. Model. 2011, 51, 1259-1270.
  6. Medina-Franco, J. L.; López-Vallejo, F.; Kuck, D.; Lyko, F. Natural Products as DNA Methyltransferase Inhibitors: A Computer-aided Discovery Approach. Mol. Diversity 2011, 15, 293-304 (invited paper).
  7. López-Vallejo, F.; Nefzi, A.; Bender, A.; Owen, J. R.; Nabney, I. T.; Houghten, R. A. Medina-Franco, J. L. Increased Diversity of Libraries from Libraries: Chemoinformatic Analysis of Bis-Diazacyclic Libraries. Chem. Biol. Drug Des., 2011, 77, 328-342.
  8. Owen J. R.; Nabney, I. T.; Medina-Franco, J. L.; López-Vallejo, F. Visualization of Molecular Fingerprints. J. Chem. Inf. Model. 2011, 51, 1552-1563.
  9. López-Vallejo, F.; Caulfield, T.; Martínez-Mayorga, K.; Giulianotti, M. A.; Nefzi, A.; Houghten, R. A.; Medina-Franco, J. L. Integrating Virtual Screening and Combinatorial Chemistry for Accelerated Drug Discovery. Comb. Chem. High Throughput Screening, 2011, 14, 475-487 (invited paper).
  10. Pérez-Villanueva, J.; Santos, R.; Hernández-Campos, A.; Giulianotti, M. A.; Castillo, R.; Medina-Franco, J. L. Structure-Activity Relationships of Benzimidazole Derivatives as Antiparasitic Agents: Dual Activity-Difference (DAD) Maps. Med. Chem. Commun., 2011, 2, 44-49.
  11. Yongye, A. B.; Pinilla, C.; Medina-Franco, J. L.; Giulianotti, M. A.; Dooley, C. T.; Appel, J.; Nefzi, A.; Scior, T.; Houghten, R. A.; Martínez-Mayorga, K. Integrating Computational and Mixture-Based Screening of Combinatorial Libraries. J. Mol. Model. 2011, 17, 1473-1482.
  12. López-Vallejo, F.; Castillo, R.; Yépez-Mulia, L.; Medina-Franco, J. L. Benzotriazoles and indazoles are scaffolds with biological activity against Entamoeba histolytica. J. Biomol. Screening, 2011, 16, 862-868.
  13. Ou, L.; Han, S.; Ding, W.; Jia, P.; Yang, B.; Medina-Franco, J.L.; Giulianotti, M. A.; Chen, J-Z,; Yu, Y. Parallel Synthesis of Novel Antitumor Agents: 1,2,3-Triazoles Bearing Biologically Active Sulfonamide Moiety and their 3D-QSAR. Mol. Diversity, 2011, 15, 927-946.
  14. Pérez-Villanueva, J.; Medina-Franco, J.L.; Caulfield, T. R.; Hernández-Campos, A.; Hernández-Luis, F.; Yépez-Mulia, L.; Castillo, R. Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) of Some Benzimidazole Derivatives with Trichomonicidal Activity Eur. J. Med. Chem. 2011, 46, 3499-3508.
  15. Ramírez-Espinosa, J. J.; Ríos, M. Y.; López-Martínez, S.; López-Vallejo, F.; Medina-Franco, J.L.; Paoli, P.; Camici, G.; Navarrete-Vázquez, G.; Ortiz-Andrade, R.; Estrada-Soto. S. Antidiabetic Activity of Some Pentacyclic Acid Triterpenoids, Role of PTP- 1B: in vitro, in silico, and in vivo Approaches. Eur. J. Med. Chem., 2011, 46, 2243-2251.
  16. Kuck, D.; Caulfield, T.; Lyko, F.; Medina-Franco, J. L. Nanaomycin A Selectively Inhibits DNMT3B and Reactivates Silenced Tumor Suppressor Genes in Human Cancer Cells. Mol. Cancer Ther., 2010, 9, 3015-3023.
  17. Kuck, D.; Singh, N.; Lyko, F.; Medina-Franco, J. L. Discovery of Selective DNA Methyltransferase Inhibitors by Docking-Based Virtual Screening and Experimental Evaluation. Bioorg. Med. Chem. 2010, 18, 822-829.
  18. Armishaw, C. J.; Singh, N.; Medina-Franco, J. L.; Clark, R. J.; Scott, K. C. M.; Houghten, R. A.; Jensen, A. A. A Synthetic Combinatorial Strategy for Developing α-Conotoxin Analogs as Potent α7 Nictotinic Acetylcholine Receptor Antagonists. J. Biol. Chem. 2010, 285, 1809-1821.
  19. Pérez-Villanueva, J.; Santos, R.; Hernández-Campos, A.; Giulianotti, M. A.; Castillo, R.; Medina-Franco, J. L. Towards a Systematic Characterization of the Antiprotozoal Activity Landscape of Benzimidazole Derivatives. Bioorg. Med. Chem., 2010, 18, 7380-7391.
  20. Hernández-Campos, A.; Velázquez-Martínez, I.; Castillo, R.; López-Vallejo, F.; Jia, P.; Yu, Y.; Giulianotti, M. A.; Medina-Franco, J. L. Docking of Protein Kinase B Inhibitors: Implications in the Structure-Based Optimization of a Novel Scaffold. Chem. Biol. Drug Des. 2010, 76, 269-276.
  21. Argüelles, N.; Sánchez-Sandoval, E.; Mendieta, A.; Villa-Tanaca, L.; Garduño-Siciliano, L.; Jiménez, F.; Cruz, M. C.; Medina-Franco, J. L.; Chamorro-Cevallos, G.; Tamariz. J. Design, Synthesis, and Docking of Highly Hypolipidemic Agents: Schizosaccharomyces pombe -Asarone-based HMG-CoA Reductaseaas a New Model for Evaluating Inhibitors. Bioorg. Med. Chem. 2010, 18, 4238-4248.
  22. Torres-Piedra, M.; Ortiz-Andrade, R. R.; Villalobos-Molina, R.; Singh, N.; Medina-Franco, J. L.; Webster, S. P.; Binnie, M.; Navarrete-Vázquez, G.; Estrada-Soto, S. 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. Eur. J. Med. Chem. 2010, 45, 2606-2612.
  23. Liu, Z.; Medina-Franco, J. L.; Houghten. R. A.; Giulianotti, M. A. Traceless Solid-phase Synthesis of N-Substituted 3,5-Bis(arylidene)piperidin-4-one Derivatives. Tetrahedron Lett. 2010, 51, 5003-5004.
  24. Medina-Franco, J. L.; Martínez-Mayorga, K.; Bender, A.; Marín, R. M.; Giulianotti, M. A.; Pinilla, C.; Houghten, R. A. Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs. J. Chem. Inf. Model. 2009, 49, 477-491.
  25. Singh, N.; Guha, R.; Giulianotti, M.; Pinilla, C.; Houghten, R.; Medina-Franco, J. L. Chemoinformatic Analysis of Drugs, Natural Products, Molecular Libraries Small Molecule Repository and Combinatorial Libraries. J. Chem. Inf. Model. 2009, 49, 1010-1024.
  26. Medina-Franco, J. L.; Giulianotti, M. A.; Yu, Y.; Shen, L.; Yao, L.; Singh, N. Discovery of a Novel Protein Kinase B Inhibitor by Structure-Based Virtual Screening. Bioorg. Med. Chem. Lett. 2009, 19, 4634-4638.
  27. Medina-Franco, J. L.; Martínez-Mayorga, K.; Bender, A.; Scior T. Scaffold Diversity Analysis of Compound Data Sets using an Entropy-Based Measure. QSAR Comb. Sci. 2009, 28, 1551-1560.
  28. Scior, J. T.; Medina-Franco, J. L.; Do, Q.-T.; Martínez-Mayorga, K.; Yunes Rojas, J. A.; Bernard, P. How to Recognize and Workaround Pitfalls in QSAR Studies. Curr. Med. Chem. 2009, 16, 4297-4313.
  29. Singh, N.; Dueñas-González, A.; Lyko, F.; Medina-Franco, J. L.. Molecular Modeling and Dynamics Studies of Hydralazine with Human DNA Methyltransferase 1. ChemMedChem 2009, 4, 792-799.
  30. Singh, N.; Tamariz, J.; Chamorro, G.; Medina-Franco, J. L. Inhibitors of HMG-CoA Reductase: Current and Future Prospects. Mini-Rev. Med. Chem. 2009, 9, 1272-1283.
  31. Yongye, A. B.; Appel, J. R.; Giulianotti, M. A.; Dooley, C. T.; Medina-Franco, J. L.; Nefzi, A.; Houghten, R. A.; Martínez-Mayorga, K. Identification, Structure-Activity Relationships and Molecular Modeling of Potent Triamine and Piperazine Opioid Ligands. Bioorg. Med. Chem. 2009, 17, 5583-5597.
  32. Navarrete-Vazquez, G.; Paoli, P.; León-Rivera, I.; Villalobos-Molina, R.; Medina-Franco, J. L., Ortiz-Andrade, R.; Estrada-Soto, S.; Camici, G.; Diaz-Coutiño, D.; Gallardo-Ortiz, I.; Martínez-Mayorga, K.; Moreno-Díaz, H. bSynthesis, in vitro and computational studies of protein-tyrosine phosphatase 1 inhibition of a small library of 2-arylsulfonylaminobenzothiazoles with antihyperglycemic activity. Bioorg. Med. Chem. 2009, 17, 3332-3341.
  33. Medina-Franco, J. L.; Martínez-Mayorga, K.; Giulianotti, M. A.; Houghten, R. A.; Pinilla, C. Visualization of the Chemical Space in Drug Discovery. Curr. Comput.- Aided Drug Des. 2008, 4, 322-333.
  34. Dueñas-González, A.; García-López, P.; Herrera, L. A., Medina-Franco, J. L.; González-Fierro, A.; Candelaria, M. The Prince and the Pauper. A Tale of Anticancer Targeted Agents. Molecular Cancer 2008, 7, 82.
  35. Martínez-Mayorga, K.; Medina-Franco, J. L.; Giulianotti, M. A.; Pinilla, C.; Dooley, C. T.; Appel, J. R.; Houghten, R. A. Conformation-Opioid Activity Relationships of Bicyclic Guanidines from 3D Similarity Analysis. Bioorg. Med. Chem. 2008, 16, 5932-5938.
  36. Houghten, R. A.; Pinilla, C.; Appel, J. R.; Giulianotti, M. A.; Nefzi, A.; Ostresh, J. M.; Dooley, C. T.; Maggiora, G. M.; Medina Franco, J. L.; Brunner, D.; Schneider, J. Mixture-based Synthetic Combinatorial Libraries: Direct in vivo Testing, Scaffold Ranking, and Enhanced Deconvolution Using Computational Approaches. J. Comb. Chem. 2008, 10, 3-19.
  37. Moreno-Díaz, H.; Villalobos-Molina, R.; Ortiz-Andrade, R.; Díaz-Coutiño, D.; Medina-Franco, J. L.; Webster, S. P.; Binnie, M.; Estrada-Soto, S.; Ibarra-Barajas, M.; León-Rivera, I.; Navarrete-Vázquez, G. Antidiabetic activity of N-(6-substituted-1,3-benzothiazol-2-yl)benzenesulfonamides. Bioorg. Med. Chem. Lett. 2008, 18, 2871-2877.
  38. Medina-Franco, J. L.; Maggiora, G. M.; Giulianotti, M. A.; Pinilla, C.; Houghten, R. A. A Similarity-based Data-fusion Approach to the Visual Characterization and Comparison of Compound Databases. Chem. Biol. Drug. Des. 2007, 70, 393-412.
  39. Medina-Franco, J. L.; Martínez-Mayorga, K.; Juárez-Gordiano, C.; Castillo R. Pyridin-2(1H)-ones: A Promising Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors. ChemMedChem 2007, 2, 1141-1147.
  40. Scior, T.; Bernard, P.; Medina-Franco, J. L.; Maggiora, G. M. Large Compound Databases for Structure-Activity Relationships Studies in Drug Discovery. Mini-Rev. Med. Chem. 2007, 7, 851-860.
  41. López-Vallejo, F.; Medina-Franco, J. L.; Hernández-Campos, A.; Rodríguez-Morales, S.; Yépez, L.; Cedillo, R.; Castillo, R. Molecular Modeling of Some 1H-Benzimidazole Derivatives with Biological Activity Against Entamoeba histolytica: A Comparative Molecular Field Analysis Study. Bioorg. Med. Chem. 2007, 15, 1117-1126.
  42. Medina-Franco, H.; Ramos-De la Medina A.; Vizcaino, G.; Medina-Franco, J. L. Single Nucleotide Polymorphisms in the Promoter Region of the E-cadherin Gene in Gastric Cancer: Case-control Study in a Young Mexican Population. Ann. Surg. Oncol. 2007, 14, 2246-2249.
  43. Medina-Franco, J. L. Aplicaciones Exitosas del Diseño de Fármacos Utilizando Métodos Computacionales. Ciencia (Mexico) 2007, 59, 1-8. (Versión electrónica). http://revistaciencia.amc.edu.mx/index.php?option=com_content&task=view&id=79&Itemid=43
  44. Medina-Franco, J. L.; Petit, J.; Maggiora, G. M. Hierarchical Strategy for Identifying Active Chemotype Classes in Compound Databases. Chem. Biol. Drug. Des. 2006, 67, 395-408.
  45. Medina-Franco, J. L.; López-Vallejo, F.; Castillo R. Diseño de Fármacos Asistido por Computadora. Educación Química 2006, 17, 114-120.
  46. Medina-Franco, J. L.; Golbraikh, A.; Oloff, S.; Castillo, R.; Tropsha, A. Quantitative Structure-Activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors Using the k Nearest Neighbor Method and QSAR-Based Database Mining. J. Comput.-Aided Mol. Des. 2005, 19, 229-242.
  47. Medina-Franco, J. L.; López-Vallejo, F.; Rodríguez-Morales, S.; Castillo R.; Chamorro, G.; Tamariz, J. Molecular Docking of the Highly Hypolipidemic Agent α-Asarone with the Catalytic Portion of HMG-CoA Reductase. Bioorg. Med. Chem. Lett. 2005, 15, 989-994.
  48. Medina-Franco,J. L.; Juárez-Gordiano, C.; Hernández-Campos,A; Duarte,G.; Guzmán, M.;Castillo, R. New Fragmentation Process of Pyridin-2(1H)-ones upon Electron Impact Ionization. Rapid Commun. Mass Spectrom. 2005, 19, 2350-2354.
  49. Soria-Arteche, O.; Castillo,R.; Hernández-Campos,A.; Hurtado-de la Peña,M.; Navarrete-Vázquez,G.; Medina-Franco,J. L.; Gómez-Flores, K. Studies on the Selective S-Oxidation of Albendazole, Fenbendazole, Triclabendazole, and other Benzimidazole sulfides. J. Mex. Chem. 2005, 49, 353-358.
  50. Medina-Franco, J. L.; Rodríguez-Morales, S.; Juárez-Gordiano C.; Hernández-Campos, A.; Castillo, R. A Docking Based CoMFA Study of Non-nucleoside Reverse Transcriptase Inhibitors of HIV-1 of the Pyridinone Derivative Type. J. Comput.-Aided. Mol. Des. 2004, 18, 345-360.
  51. Medina-Franco, J. L.; Rodríguez-Morales S.; Juárez-Gordiano, C.; Hernández-Campos A.; Jiménez-Barbero, J.; Castillo, R. Flexible Docking of Pyridinone Derivatives into de Non-nucleoside Binding Site of HIV-1 Reverse Transcriptase. Bioorg. Med. Chem. 2004, 12, 6085-6095.
  52. Martínez-Mayorga, K.; Medina-Franco, J. L.; Mari, S.; Cañada, F. J.; Rodríguez-García E.; Vogel, P.; Li, H.; Blériot, Y.; Sinaÿ, P.; Jiménez-Barbero, J. The Conformational Behavior of Novel Glycosidase Inhibitors with Substituted Azepan Structures. A NMR and Modeling Study. Eur. J. Org. Chem.2004, 2004, 4119-4129.
  53. Castellano, S.; Kuck, D.; Viviano, M.; Yoo, J.; López-Vallejo, F.; Conti, P.; Tamborini, L.; Pinto, A.; Medina-Franco, J. L.; Sbardella, G. DSynthesis and Biochemical Evaluation of 2-Isoxazoline Derivatives as DNA Methyltransferase 1 Inhibitors. J. Med. Chem., in press. DOI: 10.1021/jm2010404
  54. Yoo, J.; Medina-Franco, J. L. Trimethylaurintricarboxylic Acid Inhibits Human DNA Methyltransferase 1: Insights from Enzymatic and Molecular Modeling Studies. J. Mol. Model., in press.DOI: 10.1007/s00894-011-1191-4
  55. Yongye, A. B.; Peppard, T. L.; Medina-Franco, J. L.; Martinez-Mayorga, K. Characterization of a Comprehensive Flavor Database. J. Chemom., in press. DOI: 10.1002/cem.1399
  56. Eyrisch, S.; Medina-Franco, J. L.; Helms, V. Transient pockets on XIAP-BIR2: Toward the Characterization of Putative Binding Sites of Small-molecule XIAP Inhibitors. J. Mol. Model., in press.DOI: 10.1007/s00894-011-1217-y
  57. López-Vallejo, F.; Peppard T. L.; Medina-Franco. J. L.; Martínez-Mayorga, K. Computational Methods for the Discovery of Mood Disorder Therapy Expert Opin. Drug Discovery 2011, accepted.
  58. Medina-Franco, J. L.; Yongye, A. B.; López-Vallejo, F., Consensus Models of Activity Landscapes. En Statistical Modeling of Molecular Descriptors in QSAR/QSPR, Matthias Dehmer, Kurt Varmuza, Danail Bonchev (Eds.), Wiley-VCH, 2012.
  59. Martínez-Mayorga, K., Medina-Franco, J. L. Chemoinformatics – Applications in Food Chemistry. En Advances in Food and Nutrition Research, Steve Taylor (Ed.), Vol.58, Burlington: Academic Press, 2009, pp. 33-56.
  60. Yoo, J.; Kim, J. H.; Robertson, K. D.; Medina-Franco, J. L. Molecular Modeling of Inhibitors of Human DNA Methyltransferase with a Crystal Structure: Discovery of a Novel DNMT1 inhibitor. En Advances in Protein Chemistry and Structural Biology; Structural and Mechanistic Enzymology: Bringing Computations and Experiments Together. Christo Christov and Tatyana Karabencheva-Christova (Eds.). Elsevier (in press).
  61. Yoo, J.; Medina-Franco, J. L. Discovery and Optimization of Inhibitors of DNA Methyltransferase as Novel Drugs for Cancer Therapy. En Drug Development/Book 2, Chris Rundfeldt (Ed.), ISBN: 979-953-307-657-6, InTech, Disponible en: http://www.intechopen.com (in press).


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