José Rogério Araújo Silva

All papers authored by José Rogério Araújo Silva

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2024 Maycon Vinicius Damasceno de Oliveira, Kauê S. da Costa, José Rogério A. Silva

, Jerônimo Lameira, Anderson H. Lima

Role of UDP‐N‐acetylmuramic acid in the regulation of MurA activity revealed by molecular dynamics simulations

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2023 Lucas Sousa Martins, Beatriz Alves Bentes, Jerônimo Lameira, José Rogério Araújo Silva, José Rogério Araújo Silva

Unlocking Tyrosinase Inhibition: Insights from Molecular Dynamics and Binding Free Energy Studies of Novel Arylpiperidine and Arylpiperazine-Based Inhibitors

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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

Assessment of host–guest molecular encapsulation of eugenol using β-cyclodextrin

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Lucas Sousa Martins

, Hendrik Gerhardus Kruger

, Tricia Naicker

, Cláudio Nahum Alves

, Jerônimo Lameira

, José Rogério Araújo Silva

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

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2022 Lucas Sousa Martins

, Reinaldo W. A. Gonçalves, Joana J. S. Moraes, Cláudio Nahum Alves

, José Rogério A. Silva

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

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Alessandra M. Balieiro

, Eduarda L. S. Anunciação, Clauber H. S. Costa, Wesam S. Qayed

, José Rogério A. Silva

Computational Analysis of SAM Analogs as Methyltransferase Inhibitors of nsp16/nsp10 Complex from SARS-CoV-2

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Wesam S. Qayed

, Rafaela S. Ferreira, José Rogério A. Silva

In Silico Study towards Repositioning of FDA-Approved Drug Candidates for Anticoronaviral Therapy: Molecular Docking, Molecular Dynamics and Binding Free Energy Calculations

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Ana Paula Lima da Costa, José Rogério A. Silva

, Fábio Alberto de Molfetta

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

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Wesam S. Qayed, Mostafa A. Hassan, Wael M. El-Sayed, José Rogério A. Silva

, Tarek Aboul-Fadl

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

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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

Metabolic Processing of Selenium-Based Bioisosteres of meso-Diaminopimelic Acid in Live Bacteria

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2021 José Rogério A. Silva

, Jaime Urban, Edson Araújo, Jerônimo Lameira

, Vicent Moliner, Cláudio Nahum Alves

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

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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

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

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Anderson H. Lima

, José Rogério A. Silva

, Cláudio Nahum Alves

, Jerônimo Lameira

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

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Camila Auad Beltrão de Freitas

, Raíssa Cristine Santos de Araújo, Simone Patrícia Aranha da Paz, José Rogério de Araújo Silva

, Cláudio Nahum Alves, Jerônimo Lameira

Obtenção E Caracterização De Complexo De Inclusão De Β-Ciclodextrina E Eugenol / Preparation and Characterization of Β-Cyclodextrin Inclusion Complex of Eugenol

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José Rogério A. Silva

, Hendrik G. Kruger

, Fábio A. Molfetta

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

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André Souza, Fábio Cardoso, Lucas Martins, Cláudio Alves, José Silva

, Fábio Molfetta

Molecular Modelling Study of Heteroarylamide/Sulfonamide Compounds with Antitrypanosomal Activity

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2020 Alexis J. Apostolos, Julia M. Nelson, José Rogério A. Silva

, Jerônimo Lameira

, Alecia M. Achimovich, Andreas Gahlmann, Cláudio N. Alves

, Marcos M. Pires

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

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Amanda Pâmela Santos Queiroz, 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, Milton Nascimento Silva, Cristiane Socorro Ferraz Maia, Enéas Andrade Fontes-Júnior, José Luiz M. do Nascimento, Mara Silvia P. Arruda, Gilmara N. T. Bastos

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

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Lucas Sousa Martins

, Jerônimo Lameira

, Hendrik G. Kruger

, Cláudio Nahum Alves, José Rogério A. Silva

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

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José Rogério A. Silva

, Lorenzo Cianni, Deborah Araujo, Pedro Henrique Jatai Batista, Daniela de Vita, Fabiana Rosini, Andrei Leitão, Jerônimo Lameira

, Carlos A. Montanari

Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism

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All papers authored by José Rogério Araújo Silva