José Rogério de Araújo Silva
José Rogério de Araújo Silva
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Antifungal Activity and Computational Study of Constituents from Piper divaricatum Essential Oil against Fusarium Infection in Black Pepper
JKR da Silva, JRA Silva, SB Nascimento, SFM da Luz, EN Meireles, ...
Molecules 19 (11), 17926-17942, 2014
Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins
P Kumar, V Chauhan, JRA Silva, J Lameira, FB d'Andrea, SG Li, SL Ginell, ...
Antimicrobial agents and chemotherapy 61 (10), e00866-17, 2017
Combined kinetic studies and computational analysis on kojic acid analogs as tyrosinase inhibitors
CR Lima, JRA Silva, ÉTC Cardoso, EO Silva, J Lameira, JLM Nascimento, ...
Molecules 19 (7), 9591-9605, 2014
Catalytic mechanism of L, D-Transpeptidase 2 from Mycobacterium tuberculosis described by a computational approach: Insights for the design of new antibiotics drugs
JRA Silva, AE Roitberg, CN Alves
Journal of chemical information and modeling 54 (9), 2402-2410, 2014
Binding Free Energy Calculations of Nine FDA‐approved Protease Inhibitors Against HIV‐1 Subtype C I36T↑ T Containing 100 Amino Acids Per Monomer
HA Lockhat, JRA Silva, CN Alves, T Govender, J Lameira, GEM Maguire, ...
Chemical biology & drug design 87 (4), 487-498, 2016
Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism
JRA Silva, L Cianni, D Araújo, PHJ Batista, D De Vita, F Rosini, A Leitao, ...
Journal of Chemical Information and Modeling 60 (3), 1666-1677, 2020
Simulating the inhibition reaction of Mycobacterium tuberculosis l, d-transpeptidase 2 by carbapenems
JRA Silva, T Govender, GEM Maguire, HG Kruger, J Lameira, AE Roitberg, ...
Chemical Communications 51 (63), 12560-12562, 2015
Acetylcholinesterase Inhibitory Activity and Molecular Docking Study of 1‐Nitro‐2‐Phenylethane, the Main Constituent of Aniba canelilla Essential Oil
NNS Silva, JRA Silva, CN Alves, EHA Andrade, JKR da Silva, JGS Maia
Chemical biology & drug design 84 (2), 192-198, 2014
Computational Analysis of Human OGA Structure in Complex with PUGNAc and NAG-Thiazoline Derivatives
NAN Alencar, PRM Sousa, JRA Silva, J Lameira, CN Alves, S Martí, ...
Targeting the cell wall of Mycobacterium tuberculosis: a molecular modeling investigation of the interaction of imipenem and meropenem with L, D-transpeptidase 2
JRA Silva, WR Bishai, T Govender, G Lamichhane, GEM Maguire, ...
Journal of Biomolecular Structure and Dynamics 34 (2), 304-317, 2016
Insights for design of Trypanosoma cruzi GAPDH inhibitors: A QM/MM MD study of 1,3‐bisphospo‐D‐glyceric acid analogs
JR Araujo Silva, J Lameira, CN Alves
International Journal of Quantum Chemistry 112 (20), 3398-3402, 2012
Exploring chloride selectivity and halogenase regioselectivity of the sall enzyme through quantum mechanical/molecular mechanical modeling
PRM Pereira, JO Araújo, JRA Silva, CN Alves, J Lameira, AH Lima
Journal of Chemical Information and Modeling 60 (2), 738-746, 2020
Inhibition of tyrosinase by 4H‐chromene analogs: Synthesis, kinetic studies, and computational analysis
EM Brasil, LM Canavieira, ÉTC Cardoso, EO Silva, J Lameira, ...
Chemical biology & drug design 90 (5), 804-810, 2017
Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study
B Honarparvar, SA Pawar, CN Alves, J Lameira, GEM Maguire, JRA Silva, ...
Journal of biomedical science 22 (1), 1-15, 2015
A QM/MM Free Energy Study of the Oxidation Mechanism of Dihydroorotate Dehydrogenase (Class 1A) from Lactococcus lactis
JRA Silva, AE Roitberg, CN Alves
The Journal of Physical Chemistry B 119 (4), 1468-1473, 2015
Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission
S Alapour, SJ Zamisa, JRA Silva, CN Alves, B Omondi, D Ramjugernath, ...
CrystEngComm 20 (16), 2316-2323, 2018
Insights into the mechanism of oxidation of dihydroorotate to orotate catalysed by human class 2 dihydroorotate dehydrogenase: a QM/MM free energy study
CN Alves, JRA Silva, AE Roitberg
Physical Chemistry Chemical Physics 17 (27), 17790-17796, 2015
Identification of (−)(E)-N-[2(S)-Hydroxy-2-(4-hydroxyphenyl) ethyl]ferulamide, a Natural Product Isolated from Croton Pullei: Theoretical and Experimental Analysis
SO Silva, RNS Peixoto, JRA Silva, CN Alves, G Guilhon, LS Santos, ...
Drug repurposing and computational modeling for discovery of inhibitors of the main protease (M pro) of SARS-CoV-2
JRA Silva, HG Kruger, FA Molfetta
RSC Advances 11 (38), 23450-23458, 2021
Facile Synthesis and Metabolic Incorporation of m-DAP Bioisosteres Into Cell Walls of Live Bacteria
AJ Apostolos, JM Nelson, JRA Silva, J Lameira, AM Achimovich, ...
ACS chemical biology 15 (11), 2966-2975, 2020
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