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Carmine Talarico
Carmine Talarico
EXSCALATE Platform, Dompe' farmaceutici SpA
Email confirmado em dompe.com
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Identification of inhibitors of SARS-CoV-2 3CL-pro enzymatic activity using a small molecule in vitro repurposing screen
M Kuzikov, E Costanzi, J Reinshagen, F Esposito, L Vangeel, M Wolf, ...
ACS pharmacology & translational science 4 (3), 1096-1110, 2021
522021
Computational studies of SARS-CoV-2 3CLpro: Insights from MD simulations
A Grottesi, N Bešker, A Emerson, C Manelfi, AR Beccari, F Frigerio, ...
International journal of molecular sciences 21 (15), 5346, 2020
482020
Identification of G-quadruplex DNA/RNA binders: Structure-based virtual screening and biophysical characterization
R Rocca, F Moraca, G Costa, M Nadai, M Scalabrin, C Talarico, S Distinto, ...
Biochimica et Biophysica Acta (BBA)-General Subjects 1861 (5), 1329-1340, 2017
312017
A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics
J Gossen, S Albani, A Hanke, BP Joseph, C Bergh, M Kuzikov, E Costanzi, ...
ACS pharmacology & translational science 4 (3), 1079-1095, 2021
292021
A comprehensive mapping of the druggable cavities within the SARS-CoV-2 therapeutically relevant proteins by combining pocket and docking searches as implemented in pockets 2.0
S Gervasoni, G Vistoli, C Talarico, C Manelfi, AR Beccari, G Studer, ...
International journal of molecular sciences 21 (14), 5152, 2020
262020
Novel natural non-nucleoside inhibitors of HIV-1 reverse transcriptase identified by shape-and structure-based virtual screening techniques
G Costa, R Rocca, A Corona, N Grandi, F Moraca, I Romeo, C Talarico, ...
European journal of medicinal chemistry 161, 1-10, 2019
242019
Molecular recognition of a carboxy pyridostatin toward G‐quadruplex structures: Why does it prefer RNA?
R Rocca, C Talarico, F Moraca, G Costa, I Romeo, F Ortuso, S Alcaro, ...
Chemical Biology & Drug Design 90 (5), 919-925, 2017
222017
Repurposing the estrogen receptor modulator raloxifene to treat SARS-CoV-2 infection
M Allegretti, MC Cesta, M Zippoli, A Beccari, C Talarico, F Mantelli, ...
Cell Death & Differentiation 29 (1), 156-166, 2022
212022
Computer-based techniques for lead identification and optimization I: Basics
A Maruca, FA Ambrosio, A Lupia, I Romeo, R Rocca, F Moraca, C Talarico, ...
Physical Sciences Reviews 4 (6), 2019
192019
In Silico Identification of Piperidinyl-amine Derivatives as Novel Dual Binders of Oncogene c-myc/c-Kit G-quadruplexes
R Rocca, F Moraca, G Costa, C Talarico, F Ortuso, S Da Ros, G Nicoletto, ...
ACS Medicinal Chemistry Letters 9 (8), 848-853, 2018
182018
Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on The hTRPM8 Channel
C Talarico, S Gervasoni, C Manelfi, A Pedretti, G Vistoli, AR Beccari
International Journal of Molecular Sciences 21 (7), 2256, 2020
172020
The Mu. Ta. Lig. Chemotheca: a community-populated molecular database for multi-target ligands identification and compound-repurposing
F Ortuso, D Bagetta, A Maruca, C Talarico, ML Bolognesi, N Haider, ...
Frontiers in Chemistry 6, 130, 2018
162018
A Comparative Docking Strategy to Identify Polyphenolic Derivatives as Promising Antineoplastic Binders of G‐quadruplex DNA c‐myc and bcl‐2 Sequences
G Costa, R Rocca, F Moraca, C Talarico, I Romeo, F Ortuso, S Alcaro, ...
Molecular Informatics 35 (8-9), 391-402, 2016
162016
Molecular modelling of epitopes recognized by neoplastic B lymphocytes in Chronic Lymphocytic Leukemia
A Lupia, S Mimmi, E Iaccino, D Maisano, F Moraca, C Talarico, E Vecchio, ...
European Journal of Medicinal Chemistry 185, 111838, 2020
152020
Natural compounds inhibit SARS-CoV-2 nsp13 unwinding and ATPase enzyme activities
A Corona, K Wycisk, C Talarico, C Manelfi, J Milia, R Cannalire, ...
ACS pharmacology & translational science 5 (4), 226-239, 2022
132022
Pathway involving the N155H mutation in HIV-1 integrase leads to dolutegravir resistance
I Malet, FA Ambrosio, F Subra, B Herrmann, H Leh, MC Bouger, A Artese, ...
Journal of Antimicrobial Chemotherapy 73 (5), 1158-1166, 2018
122018
Computer-based techniques for lead identification and optimization II: Advanced search methods
A Lupia, F Moraca, D Bagetta, A Maruca, FA Ambrosio, R Rocca, ...
Physical Sciences Reviews 5 (5), 20180114, 2019
112019
SCoV2-MD: a database for the dynamics of the SARS-CoV-2 proteome and variant impact predictions
M Torrens-Fontanals, A Peralta-García, C Talarico, R Guixà-González, ...
Nucleic Acids Research 50 (D1), D858-D866, 2022
92022
Combining different docking engines and consensus strategies to design and validate optimized virtual screening protocols for the SARS-CoV-2 3CL protease
C Manelfi, J Gossen, S Gervasoni, C Talarico, S Albani, BJ Philipp, ...
Molecules 26 (4), 797, 2021
82021
Real‐life 3D therapy failure: Analysis of NS5A 93H RAS plus 108 K polymorphism in complex with ombitasvir by molecular modeling
N Marascio, G Pavia, I Romeo, C Talarico, S Di Salvo, M Reale, V Marano, ...
Journal of Medical Virology 90 (7), 1257-1263, 2018
72018
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