| Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—what can we learn from earlier mistakes? J Kirchmair, P Markt, S Distinto, G Wolber, T Langer Journal of computer-aided molecular design 22, 213-228, 2008 | 435 | 2008 |
| How to optimize shape-based virtual screening: choosing the right query and including chemical information J Kirchmair, S Distinto, P Markt, D Schuster, GM Spitzer, KR Liedl, ... Journal of chemical information and modeling 49 (3), 678-692, 2009 | 221 | 2009 |
| Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of 1-thiocarbamoyl-3, 5-diaryl-4, 5-dihydro-(1 H)-pyrazole derivatives F Chimenti, E Maccioni, D Secci, A Bolasco, P Chimenti, A Granese, ... Journal of medicinal chemistry 48 (23), 7113-7122, 2005 | 160 | 2005 |
| The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery J Kirchmair, P Markt, S Distinto, D Schuster, GM Spitzer, KR Liedl, ... Journal of medicinal chemistry 51 (22), 7021-7040, 2008 | 119 | 2008 |
| Selective inhibitory activity against MAO and molecular modeling studies of 2-thiazolylhydrazone derivatives F Chimenti, E Maccioni, D Secci, A Bolasco, P Chimenti, A Granese, ... Journal of medicinal chemistry 50 (4), 707-712, 2007 | 116 | 2007 |
| Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates J Kirchmair, S Distinto, D Schuster, G Spitzer, T Langer, G Wolber Current medicinal chemistry 15 (20), 2040-2053, 2008 | 101 | 2008 |
| Identification and characterization of new DNA G-quadruplex binders selected by a combination of ligand and structure-based virtual screening approaches S Alcaro, C Musetti, S Distinto, M Casatti, G Zagotto, A Artese, L Parrotta, ... Journal of medicinal chemistry 56 (3), 843-855, 2013 | 95 | 2013 |
| Synthesis and in vitro activity of 2-thiazolylhydrazone derivatives compared with the activity of clotrimazole against clinical isolates of Candida spp. F Chimenti, B Bizzarri, E Maccioni, D Secci, A Bolasco, R Fioravanti, ... Bioorganic & medicinal chemistry letters 17 (16), 4635-4640, 2007 | 94 | 2007 |
| Sennoside A, derived from the traditional chinese medicine plant Rheum L., is a new dual HIV-1 inhibitor effective on HIV-1 replication F Esposito, I Carli, C Del Vecchio, L Xu, A Corona, N Grandi, D Piano, ... Phytomedicine 23 (12), 1383-1391, 2016 | 87 | 2016 |
| Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening P Markt, RK Petersen, EN Flindt, K Kristiansen, J Kirchmair, G Spitzer, ... Journal of medicinal chemistry 51 (20), 6303-6317, 2008 | 86 | 2008 |
| Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint-and pharmacophore-based virtual screening approach S Distinto, F Esposito, J Kirchmair, MC Cardia, M Gaspari, E Maccioni, ... European journal of medicinal chemistry 50, 216-229, 2012 | 85 | 2012 |
| Development of anti-viral agents using molecular modeling and virtual screening techniques J Kirchmair, S Distinto, K Roman Liedl, P Markt, J Maria Rollinger, ... Infectious Disorders-Drug Targets (Formerly Current Drug Targets-Infectious …, 2011 | 69 | 2011 |
| 3-Acetyl-2, 5-diaryl-2, 3-dihydro-1, 3, 4-oxadiazoles: a new scaffold for the selective inhibition of monoamine oxidase B E Maccioni, S Alcaro, R Cirilli, S Vigo, MC Cardia, ML Sanna, R Meleddu, ... Journal of medicinal chemistry 54 (18), 6394-6398, 2011 | 68 | 2011 |
| Isatin thiazoline hybrids as dual inhibitors of HIV-1 reverse transcriptase R Meleddu, S Distinto, A Corona, E Tramontano, G Bianco, C Melis, ... Journal of enzyme inhibition and medicinal chemistry 32 (1), 130-136, 2017 | 60 | 2017 |
| Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors F Chimenti, D Secci, A Bolasco, P Chimenti, A Granese, S Carradori, ... Bioorganic & medicinal chemistry 18 (14), 5063-5070, 2010 | 60 | 2010 |
| (3Z)-3-(2-[4-(aryl)-1, 3-thiazol-2-yl] hydrazin-1-ylidene)-2, 3-dihydro-1H-indol-2-one derivatives as dual inhibitors of HIV-1 reverse transcriptase R Meleddu, S Distinto, A Corona, G Bianco, V Cannas, F Esposito, ... European journal of medicinal chemistry 93, 452-460, 2015 | 59 | 2015 |
| Isatin: a privileged scaffold for the design of carbonic anhydrase inhibitors C Melis, R Meleddu, A Angeli, S Distinto, G Bianco, C Capasso, ... Journal of enzyme inhibition and medicinal chemistry 32 (1), 68-73, 2017 | 58 | 2017 |
| Natural product-inspired esters and amides of ferulic and caffeic acid as dual inhibitors of HIV-1 reverse transcriptase VP Sonar, A Corona, S Distinto, E Maccioni, R Meleddu, B Fois, C Floris, ... European journal of medicinal chemistry 130, 248-260, 2017 | 56 | 2017 |
| Ribonuclease H/DNA polymerase HIV-1 reverse transcriptase dual inhibitor: mechanistic studies on the allosteric mode of action of isatin-based compound RMNC6 A Corona, R Meleddu, F Esposito, S Distinto, G Bianco, T Masaoka, ... PloS one 11 (1), e0147225, 2016 | 55 | 2016 |
| Molecular interaction fields in drug discovery: recent advances and future perspectives A Artese, S Cross, G Costa, S Distinto, L Parrotta, S Alcaro, F Ortuso, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (6), 594-613, 2013 | 53 | 2013 |
