CERAPP: collaborative estrogen receptor activity prediction project K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ... Environmental health perspectives 124 (7), 1023-1033, 2016 | 313 | 2016 |
Applicability domain for QSAR models: where theory meets reality D Gadaleta, GF Mangiatordi, M Catto, A Carotti, O Nicolotti International journal of quantitative structure-property relationships …, 2016 | 279 | 2016 |
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 | 186 | 2014 |
CoMPARA: collaborative modeling project for androgen receptor activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental Health Perspectives 128 (2), 027002, 2020 | 139 | 2020 |
Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand-and target-based approaches M Catto, O Nicolotti, F Leonetti, A Carotti, AD Favia, R Soto-Otero, ... Journal of medicinal chemistry 49 (16), 4912-4925, 2006 | 129 | 2006 |
Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological profiling of 7-[(3-chlorobenzyl) oxy]-4-[(methylamino) methyl … L Pisani, G Muncipinto, TF Miscioscia, O Nicolotti, F Leonetti, M Catto, ... Journal of medicinal chemistry 52 (21), 6685-6706, 2009 | 122 | 2009 |
Multiobjective optimization in quantitative structure− activity relationships: deriving accurate and interpretable QSARs O Nicolotti, VJ Gillet, PJ Fleming, DVS Green Journal of Medicinal Chemistry 45 (23), 5069-5080, 2002 | 112 | 2002 |
Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase M Catto, L Pisani, F Leonetti, O Nicolotti, P Pesce, A Stefanachi, ... Bioorganic & medicinal chemistry 21 (1), 146-152, 2013 | 108 | 2013 |
Design, synthesis, and biological evaluation of imidazolyl derivatives of 4, 7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17− 20 lyase A Stefanachi, AD Favia, O Nicolotti, F Leonetti, L Pisani, M Catto, ... Journal of medicinal chemistry 54 (6), 1613-1625, 2011 | 102 | 2011 |
Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases R Farina, L Pisani, M Catto, O Nicolotti, D Gadaleta, N Denora, ... Journal of medicinal chemistry 58 (14), 5561-5578, 2015 | 100 | 2015 |
Targeting monoamine oxidases with multipotent ligands: an emerging strategy in the search of new drugs against neurodegenerative diseases L Pisani, M Catto, F Leonetti, O Nicolotti, A Stefanachi, F Campagna, ... Current medicinal chemistry 18 (30), 4568-4587, 2011 | 97 | 2011 |
A generalizable definition of chemical similarity for read-across M Floris, A Manganaro, O Nicolotti, R Medda, GF Mangiatordi, E Benfenati Journal of cheminformatics 6, 1-7, 2014 | 95 | 2014 |
CATMoS: collaborative acute toxicity modeling suite K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, ... Environmental health perspectives 129 (4), 047013, 2021 | 88 | 2021 |
Exploring basic tail modifications of coumarin-based dual acetylcholinesterase-monoamine oxidase B inhibitors: identification of water-soluble, brain-permeant neuroprotective … L Pisani, R Farina, M Catto, RM Iacobazzi, O Nicolotti, S Cellamare, ... Journal of Medicinal Chemistry 59 (14), 6791-6806, 2016 | 88 | 2016 |
Quinolizidinyl derivatives of bi-and tricyclic systems as potent inhibitors of acetyl-and butyrylcholinesterase with potential in Alzheimer’s disease B Tasso, M Catto, O Nicolotti, F Novelli, M Tonelli, I Giangreco, L Pisani, ... European Journal of Medicinal Chemistry 46 (6), 2170-2184, 2011 | 87 | 2011 |
Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti … E Pontiki, D Hadjipavlou-Litina, K Litinas, O Nicolotti, A Carotti European journal of medicinal chemistry 46 (1), 191-200, 2011 | 86 | 2011 |
REACH and in silico methods: an attractive opportunity for medicinal chemists O Nicolotti, E Benfenati, A Carotti, D Gadaleta, A Gissi, GF Mangiatordi, ... Drug Discovery Today 19 (11), 1757-1768, 2014 | 85 | 2014 |
Inactivation of the glutamine/amino acid transporter ASCT2 by 1, 2, 3-dithiazoles: proteoliposomes as a tool to gain insights in the molecular mechanism of action and of … F Oppedisano, M Catto, PA Koutentis, O Nicolotti, L Pochini, M Koyioni, ... Toxicology and applied pharmacology 265 (1), 93-102, 2012 | 84 | 2012 |
Ligand efficiency metrics in drug discovery: The pros and cons from a practical perspective MM Cavalluzzi, GF Mangiatordi, O Nicolotti, G Lentini Expert opinion on drug discovery 12 (11), 1087-1104, 2017 | 81 | 2017 |
Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium‐like fragment as highly potent and selective dual binding site … L Pisani, M Catto, I Giangreco, F Leonetti, O Nicolotti, A Stefanachi, ... ChemMedChem 5 (9), 1616-1630, 2010 | 76 | 2010 |