Personal information

Brazil

Activities

Employment (1)

Federal University of Para: Belem, BR

2016-06-03 to present | Professor (Chemistry)
Employment
Source: Self-asserted source
José Rogério Araújo Silva

Education and qualifications (3)

Federal University of Pará: Belém, Pará, BR

2012-02 to 2015-03 | PhD (Chemistry)
Education
Source: Self-asserted source
José Rogério Araújo Silva

Federal University of Pará: Belém, Pará, BR

2011-02 to 2011-12 | Master (Chemistry)
Education
Source: Self-asserted source
José Rogério Araújo Silva

Federal University of Pará: Belém, Pará, BR

2007-02 to 2010-12 | Undergraduate (Chemistry)
Education
Source: Self-asserted source
José Rogério Araújo Silva

Professional activities (1)

University of KwaZulu-Natal: Durban, ZA

2023-09-01 to present | Honorary Research Fellow (School of Health Sciences)
Invited position
Source: Self-asserted source
José Rogério Araújo Silva

Funding (4)

Inovações no Desenvolvimento de Antibióticos e o Fortalecimento do Combate a Resistência Antimicrobiana (RAM): da Modelagem por IA aos Ensaios Biológicos

2024-12 to present | Contract
Conselho Nacional de Desenvolvimento Científico e Tecnológico (Brasília, BR)
Source: Self-asserted source
José Rogério Araújo Silva

Prospecção Computacional das Enzimas L,D-Transpeptidase (LDT) e Metalo-B-Lactamase (MBL) para o Desenvolvimento de Novos Inibidores contra a Resistência Antimicrobiana

2023-12 to present | Contract
Conselho Nacional de Desenvolvimento Científico e Tecnológico (Brasília, BR)
Source: Self-asserted source
José Rogério Araújo Silva

Combatendo a Resistência Antimicrobiana a partir do Desenvolvimento e Avaliação De Novos Inibidores de metalo-β-lactamases

2022-12 to present | Contract
Conselho Nacional de Desenvolvimento Científico e Tecnológico (Brasília, BR)
Source: Self-asserted source
José Rogério Araújo Silva

Estudo Computacional do Mecanismo Catalítico e de Inibição da Enzima L,D-Transpeptidase 2

2017 to 2020 | Contract
Conselho Nacional de Desenvolvimento Científico e Tecnológico (Brasília, BR)
Source: Self-asserted source
José Rogério Araújo Silva

Works (45)

Unravelling the mechanism of tyrosinase inhibition by arylpiperidine and arylpiperazine derivatives: A computational approach

Computational and Theoretical Chemistry
2025-02 | Journal article
Contributors: Lucas Sousa Martins; Beatriz Alves Bentes; Tricia Naicker; Thavendran Govender; Hendrik Gerhardus Kruger; Cláudio Nahum Alves; Jerônimo Lameira; José Rogério A. Silva
Source: check_circle
Crossref

Evaluating cutinase from Fusarium oxysporum as a biocatalyst for the degradation of nine synthetic polymer

Scientific Reports
2025-01-22 | Journal article
Contributors: Maycon Vinicius Damasceno de Oliveira; Gabriel Calandrini; Clauber Henrique Souza da Costa; Carlos Gabriel da Silva de Souza; Cláudio Nahum Alves; José Rogério A. Silva; Anderson H. Lima; Jerônimo Lameira
Source: check_circle
Crossref

Systematic Selection of Limonoids from Carapa Guianesis Aublet with Anti-Inflammatory Activity, Through in Silico Techniques for Topical Use

Revista de Gestão Social e Ambiental
2024-11-26 | Journal article
Contributors: Raimundo Nonato da Silva Barbora Júnior; André Silva dos Reis; Eloisa Helena de Aguir Andrade; José Rogério de Araújo Silva; Alberdan Silva Santos
Source: check_circle
Crossref

LDH-Indomethacin Nanoparticles Antitumoral Action: A Possible Coadjuvant Drug for Cancer Therapy

Molecules
2024-07-17 | Journal article
Contributors: Kelly Costa Alves; Carlos Emmerson Ferreira da Costa; Cláudio Márcio Rocha Remédios; Danielle Queiroz Calcagno; Marcelo de Oliveira Lima; José Rogério A. Silva; Cláudio Nahum Alves
Source: check_circle
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grade
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Role of UDP‐N‐acetylmuramic acid in the regulation of MurA activity revealed by molecular dynamics simulations

Protein Science
2024-04 | Journal article
Contributors: Maycon Vinicius Damasceno de Oliveira; Kauê S. da Costa; José Rogério A. Silva; Jerônimo Lameira; Anderson H. Lima
Source: check_circle
Crossref

Computational insights for predicting the binding and selectivity of peptidomimetic plasmepsin IV inhibitors against cathepsin D

RSC Advances
2023 | Journal article
Contributors: Lucas Sousa Martins; Hendrik Gerhardus Kruger; Tricia Naicker; Cláudio Nahum Alves; Jerônimo Lameira; José Rogério Araújo Silva
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Crossref
grade
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Unlocking Tyrosinase Inhibition: Insights from Molecular Dynamics and Binding Free Energy Studies of Novel Arylpiperidine and Arylpiperazine-Based Inhibitors

2023-08-29 | Preprint
Contributors: Lucas Sousa Martins; Beatriz Alves Bentes; Jerônimo Lameira; José Rogério Araújo Silva
Source: check_circle
Crossref
grade
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Assessment of host–guest molecular encapsulation of eugenol using β-cyclodextrin

Frontiers in Chemistry
2023-01-09 | Journal article
Part of ISSN: 2296-2646
Contributors: Camila Auad Beltrão de Freitas; Clauber Henrique Souza Costa; Kauê Santana da Costa; Simone Patrícia Aranha da Paz; José Rogério A. Silva; Cláudio Nahum Alves; Jerônimo Lameira
Source: Self-asserted source
José Rogério Araújo Silva

Computational discovery of sulfonamide derivatives as potential inhibitors of the cruzain enzyme from T. cruzi by molecular docking, molecular dynamics and MM/GBSA approaches

Molecular Simulation
2022-12-12 | Journal article
Contributors: Ana Paula Lima da Costa; José Rogério A. Silva; Fábio Alberto de Molfetta
Source: check_circle
Crossref

Computational Analysis of Triazole-Based Kojic Acid Analogs as Tyrosinase Inhibitors by Molecular Dynamics and Free Energy Calculations

Molecules
2022-11-23 | Journal article
Contributors: Lucas Sousa Martins; Reinaldo W. A. Gonçalves; Joana J. S. Moraes; Cláudio Nahum Alves; José Rogério A. Silva
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Crossref
grade
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Computational Analysis of SAM Analogs as Methyltransferase Inhibitors of nsp16/nsp10 Complex from SARS-CoV-2

International Journal of Molecular Sciences
2022-11-12 | Journal article
Contributors: Alessandra M. Balieiro; Eduarda L. S. Anunciação; Clauber H. S. Costa; Wesam S. Qayed; José Rogério A. Silva
Source: check_circle
Crossref
grade
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In Silico Study towards Repositioning of FDA-Approved Drug Candidates for Anticoronaviral Therapy: Molecular Docking, Molecular Dynamics and Binding Free Energy Calculations

Molecules
2022-09-14 | Journal article
Contributors: Wesam S. Qayed; Rafaela S. Ferreira; José Rogério A. Silva
Source: check_circle
Crossref
grade
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Metabolic Processing of Selenium-Based Bioisosteres of meso-Diaminopimelic Acid in Live Bacteria

Biochemistry
2022-07-05 | Journal article
Contributors: Alexis J. Apostolos; Karl L. Ocius; Thameez M. Koyasseril-Yehiya; Carolina Santamaria; José Rogério A. Silva; Jerônimo Lameira; Cláudio N. Alves; M. Sloan Siegrist; Marcos M. Pires
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Crossref

Novel Azine Linked Hybrids of 2-indolinone and Thiazolodinone Scaffolds as CDK2 inhibitors with potential anticancer activity: In Silico Design, Synthesis, Biological, Molecular Dynamics and Binding Free Energy Studies

Bioorganic Chemistry
2022-05-21 | Journal article
Part of ISSN: 0045-2068
Source: Self-asserted source
José Rogério Araújo Silva

Drug repurposing and computational modeling for discovery of inhibitors of the main protease (Mpro) of SARS-CoV-2

RSC Advances
2021 | Journal article
Contributors: José Rogério A. Silva; Hendrik G. Kruger; Fábio A. Molfetta
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Crossref

OBTENÇÃO E CARACTERIZAÇÃO DE COMPLEXO DE INCLUSÃO DE Β-CICLODEXTRINA E EUGENOL / PREPARATION AND CHARACTERIZATION OF Β-CYCLODEXTRIN INCLUSION COMPLEX OF EUGENOL

Brazilian Journal of Development
2021 | Journal article
Part of ISSN: 2525-8761
Part of ISSN: 2525-8761
Source: Self-asserted source
José Rogério Araújo Silva

Exploring the Catalytic Mechanism of the RNA Cap Modification by nsp16-nsp10 Complex of SARS-CoV-2 through a QM/MM Approach

International Journal of Molecular Sciences
2021-12-28 | Journal article
Part of ISSN: 1422-0067
Source: Self-asserted source
José Rogério Araújo Silva
grade
Preferred source (of 3)‎

Experimental and theoretical approaches for the development of 4H-Chromene derivatives as inhibitors of tyrosinase

Molecular Simulation
2021-06-13 | Journal article
Contributors: Luciana Morais Canavieira; Edikarlos Macedo Brasil; Thiago de Melo e Silva; Rosivaldo dos Santos Borges; José Rogério Araújo Silva; Jerônimo Lameira; Paul V. Bernhardt; Craig M. Williams; Cláudio Nahum Alves
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Crossref

QM/MM Study of the Fosfomycin Resistance Mechanism Involving FosB Enzyme

ACS Omega
2021-05-18 | Journal article
Contributors: Anderson H. Lima; José Rogério A. Silva; Cláudio Nahum Alves; Jerônimo Lameira
Source: check_circle
Crossref

Facile Synthesis and Metabolic Incorporation of m-DAP Bioisosteres Into Cell Walls of Live Bacteria

ACS Chemical Biology
2020-11-20 | Journal article
Contributors: Alexis J. Apostolos; Julia M. Nelson; José Rogério A. Silva; Jerônimo Lameira; Alecia M. Achimovich; Andreas Gahlmann; Cláudio N. Alves; Marcos M. Pires
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Crossref

Pellucidin A promotes antinociceptive activity by peripheral mechanisms inhibiting COX-2 and NOS: In vivo and in silico study

PLOS ONE
2020-09-17 | Journal article
Contributors: Amanda Pâmela Santos Queiroz; John M. Streicher; Manolo Cleiton Costa Freitas; José Rogério A. Silva; Anderson Bentes Lima; Leila Sawada; Rayan Fidel Martins Monteiro; Ana Carolina Gomes Albuquerque de Freitas; Luís Antônio Loureiro Maués; Alberto Cardoso Arruda et al.
Source: check_circle
Crossref

Molecular Modelling Study of Heteroarylamide/Sulfonamide Compounds with Antitrypanosomal Activity

Journal of the Brazilian Chemical Society
2020-08-06 | Journal article
Part of ISSN: 0103-5053
Source: Self-asserted source
José Rogério Araújo Silva
grade
Preferred source (of 2)‎

Evaluating the Performance of a Non-Bonded Cu2+ Model Including Jahn−Teller Effect into the Binding of Tyrosinase Inhibitors

International Journal of Molecular Sciences
2020-07-06 | Journal article
Contributors: Lucas Sousa Martins; Jerônimo Lameira; Hendrik G. Kruger; Cláudio Nahum Alves; José Rogério A. Silva
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Crossref
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ON THE ASSESSMENT OF THE CRUZAIN CYSTEINE PROTEASE REVERSIBLE AND IRREVERSIBLE COVALENT INHIBITION MECHANISM

Journal of Chemical Information and Modeling
2020-03-03 | Journal article
Part of ISSN: 1549-9596
Part of ISSN: 1549-960X
Source: Self-asserted source
José Rogério Araújo Silva
grade
Preferred source (of 2)‎

Exploring Chloride Selectivity and Halogenase Regioselectivity of the SalL Enzyme through Quantum Mechanical/Molecular Mechanical Modeling

Journal of Chemical Information and Modeling
2020-02-24 | Journal article
Contributors: Paulo R. M. Pereira; Jéssica de O. Araújo; José Rogério A. Silva; Cláudio N. Alves; Jerônimo Lameira; Anderson H. Lima
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Crossref

Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission

CrystEngComm
2018 | Journal article
Source: Self-asserted source
José Rogério Araújo Silva

Inhibition of tyrosinase by 4H-chromene analogs: Synthesis, kinetic studies, and computational analysis

Chemical Biology and Drug Design
2017 | Journal article
EID:

2-s2.0-85020430979

Contributors: Brasil, E.M.; Canavieira, L.M.; Cardoso, É.T.C.; Silva, E.O.; Lameira, J.; Nascimento, J.L.M.; Eifler-Lima, V.L.; Macchi, B.M.; Sriram, D.; Bernhardt, P.V. et al.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Investigation of conventional and non-conventional hydrogen bonds: a comparison of fluorine-substituted and non-fluorine substituted compounds

Monatshefte fur Chemie
2017 | Journal article
EID:

2-s2.0-85031788663

Contributors: Alapour, S.; Farahani, M.D.; Silva, J.R.A.; Alves, C.N.; Friedrich, H.B.; Ramjugernath, D.; Koorbanally, N.A.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Mycobacterium abscessus L,D-transpeptidases are susceptible to inactivation by carbapenems and cephalosporins but not penicillins

Antimicrobial Agents and Chemotherapy
2017 | Journal article
EID:

2-s2.0-85029755388

Contributors: Kumar, P.; Chauhan, V.; Silva, J.R.A.; Lameira, J.; D’Andrea, F.B.; Li, S.-G.; Ginell, S.L.; Freundlich, J.S.; Alves, C.N.; Bailey, S. et al.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

A computational analysis of indomethacin derivative as tubulin inhibitor: Insights into development of chemotherapeutic agents

Combinatorial Chemistry and High Throughput Screening
2016 | Journal article
EID:

2-s2.0-84976338449

Contributors: Costa, K.M.; Alves, C.N.; Silva, J.R.A.; Lameira, J.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Binding Free Energy Calculations of Nine FDA-approved Protease Inhibitors Against HIV-1 Subtype C I36T↑T Containing 100 Amino Acids per Monomer

Chemical Biology and Drug Design
2016 | Journal article
EID:

2-s2.0-84960461128

Contributors: Lockhat, H.A.; Silva, J.R.A.; Alves, C.N.; Govender, T.; Lameira, J.; Maguire, G.E.M.; Sayed, Y.; Kruger, H.G.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Targeting the cell wall of Mycobacterium tuberculosis: A molecular modeling investigation of the interaction of imipenem and meropenem with L,D-transpeptidase 2

Journal of Biomolecular Structure and Dynamics
2016 | Journal article
EID:

2-s2.0-84955694019

Contributors: Silva, J.R.A.; Bishai, W.R.; Govender, T.; Lamichhane, G.; Maguire, G.E.M.; Kruger, H.G.; Lameira, J.; Alves, C.N.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

A QM/MM free energy study of the oxidation mechanism of dihydroorotate dehydrogenase (class 1A) from lactococcus lactis

Journal of Physical Chemistry B
2015 | Journal article
EID:

2-s2.0-84921965375

Contributors: Silva, J.R.A.; Roitberg, A.E.; Alves, C.N.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Insights into the mechanism of oxidation of dihydroorotate to orotate catalysed by human class 2 dihydroorotate dehydrogenase: A QM/MM free energy study

Physical Chemistry Chemical Physics
2015 | Journal article
EID:

2-s2.0-84934294475

Contributors: Alves, C.N.; Silva, J.R.A.; Roitberg, A.E.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: Binding energy calculations and DFT study

Journal of Biomedical Science
2015 | Journal article
EID:

2-s2.0-84949125607

Contributors: Honarparvar, B.; Pawar, S.A.; Alves, C.N.; Lameira, J.; Maguire, G.E.M.; Silva, J.R.A.; Govender, T.; Kruger, H.G.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Simulating the inhibition reaction of Mycobacterium tuberculosis L,D-transpeptidase 2 by carbapenems

Chemical Communications
2015 | Journal article
EID:

2-s2.0-84938149882

Contributors: Silva, J.R.A.; Govender, T.; Maguire, G.E.M.; Kruger, H.G.; Lameira, J.; Roitberg, A.E.; Alves, C.N.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Acetylcholinesterase inhibitory activity and molecular docking study of 1-nitro-2-phenylethane, the main constituent of Aniba canelilla essential oil

Chemical Biology and Drug Design
2014 | Journal article
EID:

2-s2.0-84904205416

Contributors: Silva, N.N.S.; Silva, J.R.A.; Alves, C.N.; Andrade, E.H.A.; Da Silva, J.K.R.; Maia, J.G.S.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Antifungal activity and computational study of constituents from piper divaricatum essential oil against fusarium infection in black pepper

Molecules
2014 | Journal article
EID:

2-s2.0-84915774147

Contributors: Silva, J.K.R.D.; Silva, J.R.A.; Nascimento, S.B.; Luz, S.F.M.D.; Meireles, E.N.; Alves, C.N.; Ramos, A.R.; Maia, J.G.S.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier
grade
Preferred source (of 3)‎

Catalytic mechanism of L,D-transpeptidase 2 from Mycobacterium tuberculosis described by a computational approach: Insights for the design of new antibiotics drugs

Journal of Chemical Information and Modeling
2014 | Journal article
EID:

2-s2.0-84916613028

Contributors: Silva, J.R.A.; Roitberg, A.E.; Alves, C.N.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Combined kinetic studies and computational analysis on kojic acid analogs as tyrosinase inhibitors

Molecules
2014 | Journal article
EID:

2-s2.0-84904798860

Contributors: Lima, C.R.; Silva, J.R.A.; De Tássia Carvalho Cardoso, É.; Silva, E.O.; Lameira, J.; Do Nascimento, J.L.M.; Do Socorro Barros Brasil, D.; Alves, C.N.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier
grade
Preferred source (of 3)‎

Metal-dependent inhibition of HIV-1 integrase by 5CITEP inhibitor: A theoretical QM/MM approach

Chemical Physics Letters
2013 | Journal article
EID:

2-s2.0-84885649081

Contributors: Do Nascimento, J.P.; Silva, J.R.A.; Lameira, J.; Alves, C.N.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Computational analysis of human OGA structure in complex with PUGNAc and NAG-thiazoline derivatives

Journal of Chemical Information and Modeling
2012 | Journal article
EID:

2-s2.0-84867823330

Contributors: Alencar, N.A.N.D.; Sousa, P.R.M.; Silva, J.R.A.; Lameira, J.; Alves, C.N.; Martí, S.; Moliner, V.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Insights for design of Trypanosoma cruzi GAPDH inhibitors: A QM/MM MD study of 1,3-bisphospo-D-glyceric acid analogs

International Journal of Quantum Chemistry
2012 | Journal article
Source: Self-asserted source
José Rogério Araújo Silva
grade
Preferred source (of 2)‎

Identification of (-)(E)-N-[2(S)-Hydroxy-2-(4-hydroxyphenyl) ethyl]ferulamide, a natural product isolated from Croton pullei: Theoretical and experimental analysis

International Journal of Molecular Sciences
2011 | Journal article
EID:

2-s2.0-84055217222

Contributors: Silva, S.O.; Peixoto, R.N.S.; Silva, J.R.A.; Alves, C.N.; Guilhon, G.M.S.P.; Santos, L.S.; Brasil, D.S.B.
Source: Self-asserted source
José Rogério Araújo Silva via Scopus - Elsevier

Homology modeling and molecular dynamics simulation of an alpha methyl coenzyme M reductase from methanogenic archea

International Journal of Quantum Chemistry
2010 | Journal article
Source: Self-asserted source
José Rogério Araújo Silva
grade
Preferred source (of 2)‎

Peer review (30 reviews for 17 publications/grants)

Review activity for ACS catalysis. (1)
Review activity for Bioorganic chemistry. (6)
Review activity for ChemBioChem. (1)
Review activity for ChemMedChem. (1)
Review activity for Computational and Structural Biotechnology Journal (1)
Review activity for Computational biology and chemistry. (1)
Review activity for Computers in biology and medicine. (1)
Review activity for Heliyon. (1)
Review activity for Industrial & engineering chemistry research. (1)
Review activity for International journal of biological macromolecules. (1)
Review activity for Journal of chemical information and modeling. (4)
Review activity for Journal of medicinal chemistry. (1)
Review activity for Journal of molecular graphics & modelling. (2)
Review activity for Journal of molecular structure. (2)
Review activity for Molecules. (3)
Review activity for Nature communications (1)
Review activity for PloS one. (2)