Fabio Broccatelli
Fabio Broccatelli
Associate Director at BMS
Potvrđena adresa e-pošte na
BDDCS applied to over 900 drugs
LZ Benet, F Broccatelli, TI Oprea
The AAPS journal 13 (4), 519-547, 2011
A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields
F Broccatelli, E Carosati, A Neri, M Frosini, L Goracci, TI Oprea, ...
Journal of medicinal chemistry 54 (6), 1740-1751, 2011
1, 4-Dihydropyridine scaffold in medicinal chemistry, the story so far and perspectives (part 2): action in other targets and antitargets
E Carosati, P Ioan, M Micucci, F Broccatelli, G Cruciani, BS Zhorov, ...
Current medicinal chemistry 19 (25), 4306-4323, 2012
1, 4-Dihydropyridine scaffold in medicinal chemistry, the story so far and perspectives (part 1): action in ion channels and GPCRs
P Ioan, E Carosati, M Micucci, G Cruciani, F Broccatelli, B S Zhorov, ...
Current medicinal chemistry 18 (32), 4901-4922, 2011
BDDCS class prediction for new molecular entities
F Broccatelli, G Cruciani, LZ Benet, TI Oprea
Molecular pharmaceutics 9 (3), 570-580, 2012
In Silico Absorption, Distribution, Metabolism, Excretion, and Pharmacokinetics (ADME-PK): Utility and Best Practices. An Industry Perspective from the International …
F Lombardo, PV Desai, R Arimoto, KE Desino, H Fischer, CE Keefer, ...
Journal of Medicinal Chemistry 60 (22), 9097-9113, 2017
Improving the prediction of the brain disposition for orally administered drugs using BDDCS
F Broccatelli, CA Larregieu, G Cruciani, TI Oprea, LZ Benet
Advanced drug delivery reviews 64 (1), 95-109, 2012
QSAR models for P-glycoprotein transport based on a highly consistent data set
F Broccatelli
Journal of chemical information and modeling 52 (9), 2462-2470, 2012
QSAR modeling and data mining link Torsades de Pointes risk to the interplay of extent of metabolism, active transport, and HERG liability
F Broccatelli, R Mannhold, A Moriconi, S Giuli, E Carosati
Molecular pharmaceutics 9 (8), 2290-2301, 2012
Transporter‐mediated efflux influences CNS side effects: ABCB1, from antitarget to target
F Broccatelli, E Carosati, G Cruciani, TI Oprea
Molecular informatics 29 (1‐2), 16-26, 2010
Best of both worlds: on the complementarity of ligand-based and structure-based virtual screening
F Broccatelli, N Brown
Journal of Chemical Information and Modeling 54 (6), 1634-1641, 2014
Predicting when biliary excretion of parent drug is a major route of elimination in humans
CM Hosey, F Broccatelli, LZ Benet
The AAPS journal 16 (5), 1085-1096, 2014
Predicting passive permeability of drug-like molecules from chemical structure: where are we?
F Broccatelli, L Salphati, E Plise, J Cheong, A Gobbi, ML Lee, I Aliagas
Molecular Pharmaceutics 13 (12), 4199-4208, 2016
Comparing mechanistic and preclinical predictions of volume of distribution on a large set of drugs
R Chan, T De Bruyn, M Wright, F Broccatelli
Pharmaceutical research 35 (4), 1-11, 2018
Ligand Promiscuity between the Efflux Pumps Human P-Glycoprotein and S. aureus NorA
JP Brincat, F Broccatelli, S Sabatini, M Frosini, A Neri, GW Kaatz, ...
ACS medicinal chemistry letters 3 (3), 248-251, 2012
Why decreasing lipophilicity alone is often not a reliable strategy for extending IV half-life
F Broccatelli, I Aliagas, H Zheng
ACS Medicinal Chemistry Letters 9 (6), 522-527, 2018
Introduction of a Methyl Group Curbs Metabolism of Pyrido [3, 4-d] pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate …
HL Woodward, P Innocenti, KMJ Cheung, A Hayes, J Roberts, AT Henley, ...
Journal of medicinal chemistry 61 (18), 8226-8240, 2018
Computational analysis of kinase inhibitor selectivity using structural knowledge
YC Lo, T Liu, KM Morrissey, S Kakiuchi-Kiyota, AR Johnson, F Broccatelli, ...
Bioinformatics 35 (2), 235-242, 2019
Design, synthesis, and biological evaluation of pyrrolobenzodiazepine-containing hypoxia-activated prodrugs
PS Dragovich, F Broccatelli, J Chen, P Fan, H Le, W Mao, TH Pillow, ...
Bioorganic & medicinal chemistry letters 27 (23), 5300-5304, 2017
BDDCS class prediction for new molecular entities Mol
F Broccatelli, G Cruciani, LZ Benet, TI Oprea
Pharmaceutics 9, 570-580, 2012
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