Shifting from the single to the multitarget paradigm in drug discovery JL Medina-Franco, MA Giulianotti, GS Welmaker, RA Houghten Drug discovery today 18 (9-10), 495-501, 2013 | 481 | 2013 |
Recognizing pitfalls in virtual screening: a critical review T Scior, A Bender, G Tresadern, JL Medina-Franco, K Martínez-Mayorga, ... Journal of chemical information and modeling 52 (4), 867-881, 2012 | 435 | 2012 |
How to recognize and workaround pitfalls in QSAR studies: a critical review T Scior, JL Medina-Franco, QT Do, K Martínez-Mayorga, JA Yunes Rojas, ... Current medicinal chemistry 16 (32), 4297-4313, 2009 | 230 | 2009 |
Nanaomycin A selectively inhibits DNMT3B and reactivates silenced tumor suppressor genes in human cancer cells D Kuck, T Caulfield, F Lyko, JL Medina-Franco Molecular cancer therapeutics 9 (11), 3015-3023, 2010 | 183 | 2010 |
Synthesis and Biochemical Evaluation of Δ2-Isoxazoline Derivatives as DNA Methyltransferase 1 Inhibitors S Castellano, D Kuck, M Viviano, J Yoo, F López-Vallejo, P Conti, ... Journal of medicinal chemistry 54 (21), 7663-7677, 2011 | 178 | 2011 |
Novel and selective DNA methyltransferase inhibitors: docking-based virtual screening and experimental evaluation D Kuck, N Singh, F Lyko, JL Medina-Franco Bioorganic & medicinal chemistry 18 (2), 822-829, 2010 | 177 | 2010 |
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde? M Cruz-Monteagudo, JL Medina-Franco, Y Pérez-Castillo, O Nicolotti, ... Drug Discovery Today 19 (8), 1069-1080, 2014 | 169 | 2014 |
Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs JL Medina-Franco, K Martínez-Mayorga, A Bender, RM Marín, ... Journal of chemical information and modeling 49 (2), 477-491, 2009 | 164 | 2009 |
Integrating virtual screening and combinatorial chemistry for accelerated drug discovery F López-Vallejo, T Caulfield, K Martínez-Mayorga, M A Giulianotti, A Nefzi, ... Combinatorial Chemistry & High Throughput Screening 14 (6), 475-487, 2011 | 162 | 2011 |
Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository N Singh, R Guha, MA Giulianotti, C Pinilla, RA Houghten, ... Journal of chemical information and modeling 49 (4), 1010-1024, 2009 | 161 | 2009 |
Visualization of the chemical space in drug discovery JL Medina-Franco, K Martínez-Mayorga, MA Giulianotti, RA Houghten, ... Current Computer-Aided Drug Design 4 (4), 322-333, 2008 | 160 | 2008 |
Expanding the medicinally relevant chemical space with compound libraries F López-Vallejo, MA Giulianotti, RA Houghten, JL Medina-Franco Drug discovery today 17 (13-14), 718-726, 2012 | 152 | 2012 |
Natural products as DNA methyltransferase inhibitors: a computer-aided discovery approach JL Medina-Franco, F López-Vallejo, D Kuck, F Lyko Molecular diversity 15, 293-304, 2011 | 151 | 2011 |
A comparative study of flavonoid analogues on streptozotocin–nicotinamide induced diabetic rats: Quercetin as a potential antidiabetic agent acting via 11β-hydroxysteroid … M Torres-Piedra, R Ortiz-Andrade, R Villalobos-Molina, N Singh, ... European journal of medicinal chemistry 45 (6), 2606-2612, 2010 | 143 | 2010 |
Strategies for the use of mixture-based synthetic combinatorial libraries: scaffold ranking, direct testing in vivo, and enhanced deconvolution by computational methods RA Houghten, C Pinilla, MA Giulianotti, JR Appel, CT Dooley, A Nefzi, ... Journal of combinatorial chemistry 10 (1), 3-19, 2008 | 137 | 2008 |
Antidiabetic activity of N-(6-substituted-1, 3-benzothiazol-2-yl) benzenesulfonamides H Moreno-Díaz, R Villalobos-Molina, R Ortiz-Andrade, D Díaz-Coutiño, ... Bioorganic & Medicinal Chemistry Letters 18 (9), 2871-2877, 2008 | 136 | 2008 |
Antidiabetic activity of some pentacyclic acid triterpenoids, role of PTP–1B: In vitro, in silico, and in vivo approaches JJ Ramírez-Espinosa, MY Rios, S López-Martínez, F López-Vallejo, ... European journal of medicinal chemistry 46 (6), 2243-2251, 2011 | 134 | 2011 |
In silico Methods for Drug Design and Discovery S Brogi, TC Ramalho, K Kuca, JL Medina-Franco, M Valko Frontiers in chemistry 8, 612, 2020 | 121 | 2020 |
A critical overview of computational approaches employed for COVID-19 drug discovery EN Muratov, R Amaro, CH Andrade, N Brown, S Ekins, D Fourches, ... Chemical Society Reviews 50 (16), 9121-9151, 2021 | 116 | 2021 |
Molecular modeling and molecular dynamics studies of hydralazine with human DNA methyltransferase 1 N Singh, A Dueñas‐González, F Lyko, JL Medina‐Franco ChemMedChem: Chemistry Enabling Drug Discovery 4 (5), 792-799, 2009 | 116 | 2009 |