Holds a full teaching degree in Chemistry from Universidade Federal do Pará (UFPA) (2010). Was recognized for Outstanding Achievement in Scientific Initiation in 2009 and 2010, awarded by CNPq/UFPA. Master's in Chemistry from UFPA (2012). Doctorate (Ph.D.) in Chemistry from UFPA (2015), having completed a doctoral exchange program at University of Florida (USA) under the supervision of Prof. Adrian Roitberg. Subsequently, worked as a researcher for the Graduate Program in Chemistry at UFPA, funded by the PNPD/CAPES Program. Since 2016, has been an Adjunct Professor III at Faculdade de Química of Instituto de Ciências Exatas e Naturais at Universide Federal do Pará. Has experience in the field of Chemistry, with an emphasis on Theoretical and Computational Chemistry, mainly in Computational Biophysics and Biochemistry; working primarily on the following topics: Molecular Homology, Molecular Docking, Molecular Mechanics, Quantum Mechanics, Statistical Mechanics, Molecular Dynamics, Hybrid QM/MM Methods, Free Energy Methods (PB(GB)SA, LIE, SIE, FEP, IT, Umbrella Sampling and PMF), and reaction mechanisms in the gas and condensed phases for systems of biochemical interest (Computational Enzymology). Research interests are mainly focused on the studies of the molecular mechanisms related to antimicrobial resistance, with an emphasis on the development and improvement of antibiotics based on their mode of action in enzymatic systems. Also involved in tools in Educational Informatics. Currently holds the position of Vice-Coordinator of the Graduate Program in Sciences and Environment (PPGCMA/UFPA)
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Publications:
Publicações:
DE OLIVEIRA, MAYCON VINICIUS DAMASCENO ; CALANDRINI, GABRIEL ; DA COSTA, CLAUBER HENRIQUE SOUZA ; DA SILVA DE SOUZA, CARLOS GABRIEL ; ALVES, C. N. ; SILVA, J. R. A. ; Lima, Anderson H. ; Lameira, Jerônimo . Evaluating cutinase from Fusarium oxysporum as a biocatalyst for the degradation of nine synthetic polymer. Scientific Reports, 2025. DOI: https://doi.org/10.1038/s41598-024-84718-0
MARTINS, LUCAS SOUSA ; BENTES, BEATRIZ ALVES ; NAICKER, TRICIA ; Govender, Thavendran ; KRUGER, HENDRIK GERHARDUS ; ALVES, C. N. ; Lameira, Jerônimo ; SILVA, J. R. A. . Unravelling the mechanism of tyrosinase inhibition by arylpiperidine and arylpiperazine derivatives: A computational approach. Computational and Theoretical Chemistry, 2025. DOI: https://doi.org/10.1016/j.comptc.2025.115085
BARBOSA, ANA BEATRIZ ; F. DE SOUSA, KAREN KARLA ; M. BALIEIRO, ALESSANDRA ; A. SILVA, JOSÉ ROGÉRIO ; DE MOLFETTA, FÁBIO ALBERTO . Discovery of a Potential Benzimidazole-Derived Cruzain Inhibitor for Chagas Disease: Virtual Screening, ADMET Analysis, Molecular Dynamics and Binding Energy Calculations. JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, 2025. DOI: https://dx.doi.org/10.21577/0103-5053.20250051
MENESES, CARLA CAROLINA FERREIRA ; DALA, FAUSTO JUNGO ; SOUSA, PAULO ROBSON MONTEIRO DE ; ARAÚJO, ANA CLÁUDIA ; SILVA, JOSÉ ROGÉRIO DE ARAÚJO ; BRASIL, DAVI DO SOCORRO BARROS ; Lameira, Jerônimo ; Alves, Cláudio Nahum . Physico-chemical and spectroscopic characterization of tucumã and buriti oils extracted from fruits collected in São Domingos do Capim, Guamá micro-region, northeast Pará. OBSERVATORIO DE LA ECONOMÍA LATINOAMERICANA, 2025. DOI: https://doi.org/10.55905/oelv23n5-140
BAIA, TALISSA G. CALDAS ; MENESES, CARLA CAROLINA F. ; Lameira, Jerônimo ; Silva, José Rogério A. ; Alves, Cláudio Nahum . Systematic Literature Network Analysis of Raw Materials in the Amazon Bioeconomy. Sustainability, 2025. DOI: https://doi.org/10.3390/su17115015
DA COSTA, CLAUBER HENRIQUE SOUZA ; DE FREITAS, CAMILA AUAD BELTRÃO ; DOS SANTOS, ALBERTO MONTEIRO ; DA SILVA DE SOUZA, CARLOS GABRIEL ; Silva, José Rogério A. ; Lameira, Jerônimo ; MOLINER, Vicent ; SKAF, MUNIR S. . Conformational Dynamics and Binding Interactions of SARS-CoV-2 Spike Protein Variants: Omicron, XBB.1.9.2, and EG.5. Journal of Chemical Information and Modeling, 2025. DOI: https://doi.org/10.1021/acs.jcim.5c00308
REDDY, NAKITA ; BALIEIRO, ALESSANDRA MORAES ; Silva, José Rogério A. ; GOUWS, CHRISTIAAN A. ; MUTSHEMBELE, AWELANI ; ARVIDSSON, PER I. ; KRUGER, HENDRIK G. ; GOVENDER, THAVENDRAN ; NAICKER, TRICIA . Navigating the complexities of drug development for metallo-β-lactamase inhibitors. Rsc Medicinal Chemistry, 2025. DOI: https://doi.org/10.1039/D5MD00035A
NASCIMENTO, JULIANA P. S. ; CARVALHEIRO-SIMAS, TAIANA C. V. S. ; JANSSEN, ARNOLD FERREIRA ; DA SILVA, MARIA LUANE DE S. ; VALENTE, JULIANA C. ; DE JESUS, MARIO L. BARRETO ; SILVA, FLÁVIA G. ; FONTES-JÚNIOR, ENÉAS A. ; PARAGUASSU, WALDECI ; REMÉDIOS, CLÁUDIO M. R. ; FAIAL, KELSON DO CARMO FREITAS ; SOUSA, PAULO R. M. ; Silva, José Rogério A. ; Lameira, Jerônimo ; MAIA, CRISTIANE S. F. ; MENESES, CARLA CAROLINA F. ; Alves, Cláudio N. . Mg-Al LDH/Tryptophan Nanoparticle System Improves Depressive-like Behavior in Rats. ACS Omega, 2025. DOI: https://doi.org/10.1021/acsomega.5c06491
DE OLIVEIRA, MAYCON VINICIUS DAMASCENO ; DA COSTA, KAUÊ S. ; Silva, José Rogério A. ; Lameira, Jerônimo ; LIMA, ANDERSON H. . Role of -acetylmuramic acid in the regulation of activity revealed by molecular dynamics simulations. PROTEIN SCIENCE, 2024. DOI: https://doi.org/10.1002/pro.4969
ALVES, KELLY COSTA ; COSTA, CARLOS EMMERSON FERREIRA DA ; REMÉDIOS, CLÁUDIO MÁRCIO ROCHA ; CALCAGNO, DANIELLE QUEIROZ ; LIMA, MARCELO DE OLIVEIRA ; Silva, José Rogério A. ; Alves, Cláudio Nahum . LDH-Indomethacin Nanoparticles Antitumoral Action: A Possible Coadjuvant Drug for Cancer Therapy. MOLECULES, 2024. DOI: https://doi.org/10.3390/molecules29143353
BARBOSA JÚNIOR, RAIMUNDO NONATO DA SILVA ; ANDRADE, ELOISA HELENA DE AGUIAR ; SILVA, JOSÉ ROGÉRIO DE ARAÚJO ; GONÇALVES, JOSÉ FRANCISCO DE CARVALHO ; SANTOS, ALBERDAN SILVA . Sustainability Aspects of Carapa Guianensis Aubl Oil for Antiinflammatory Uses. RGSA (ANPAD), 2024. DOI: https://doi.org/10.24857/rgsa.v18n8-154
BARBORA JÚNIOR, RAIMUNDO NONATO DA SILVA ; REIS, ANDRÉ SILVA DOS ; ANDRADE, ELOISA HELENA DE AGUIR ; SILVA, JOSÉ ROGÉRIO DE ARAÚJO ; SANTOS, ALBERDAN SILVA . Systematic Selection of Limonoids from Carapa Guianesis Aublet with Anti-Inflammatory Activity, Through in Silico Techniques for Topical Use. RGSA (ANPAD), 2024. DOI: https://doi.org/10.24857/rgsa.v18n11-230
MARTINS, LUCAS SOUSA ; KRUGER, HENDRIK GERHARDUS ; NAICKER, TRICIA ; Alves, Cláudio Nahum ; Lameira, Jerônimo ; ARAÚJO SILVA, JOSÉ ROGÉRIO . Computational insights for predicting the binding and selectivity of peptidomimetic plasmepsin IV inhibitors against cathepsin D. RSC Advances, 2023. DOI: https://doi.org/10.1039/D2RA06246A
FREITAS, CAMILA AUAD BELTRÃO DE ; COSTA, CLAUBER HENRIQUE SOUZA ; DA COSTA, KAUÊ SANTANA ; DA PAZ, SIMONE PATRÍCIA ARANHA ; Silva, José Rogério A. ; Alves, Cláudio Nahum ; Lameira, Jerônimo . Assessment of host-guest molecular encapsulation of eugenol using β-cyclodextrin. Frontiers in Chemistry, 2023. DOI: https://doi.org/10.3389/fchem.2022.1061624
Silva, José Rogério A.; URBAN, JAIME ; ARAÚJO, EDSON ; Lameira, Jerônimo ; MOLINER, Vicent ; Alves, Cláudio Nahum . 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, 2022. DOI: https://doi.org/10.3390/ijms23010300
QAYED, WESAM S. ; HASSAN, MOSTAFA A. ; EL-SAYED, WAEL M. ; ROGÉRIO A. SILVA, JOSÉ ; ABOUL-FADL, TAREK . 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. DOI: https://doi.org/10.1016/j.bioorg.2022.105884
APOSTOLOS, ALEXIS J. ; OCIUS, KARL L. ; KOYASSERIL-YEHIYA, THAMEEZ M. ; SANTAMARIA, CAROLINA ; Silva, José Rogério A. ; Lameira, Jerônimo ; Alves, Cláudio N. ; SIEGRIST, M. SLOAN ; PIRES, MARCOS M. . Metabolic Processing of Selenium-Based Bioisosteres of meso -Diaminopimelic Acid in Live Bacteria. BIOCHEMISTRY, 2022. DOI: https://doi.org/10.1021/acs.biochem.2c00120
QAYED, WESAM S. ; FERREIRA, RAFAELA S. ; Silva, José Rogério A. . In Silico Study towards Repositioning of FDA-Approved Drug Candidates for Anticoronaviral Therapy: Molecular Docking, Molecular Dynamics and Binding Free Energy Calculations. MOLECULES, 2022. DOI: https://doi.org/10.3390/molecules27185988
BALIEIRO, ALESSANDRA M. ; ANUNCIAÇÃO, EDUARDA L. S. ; COSTA, CLAUBER H. S. ; QAYED, WESAM S. ; Silva, José Rogério A. . Computational Analysis of SAM Analogs as Methyltransferase Inhibitors of nsp16/nsp10 Complex from SARS-CoV-2. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2022. DOI: https://doi.org/10.3390/ijms232213972
MARTINS, LUCAS SOUSA ; GONÇALVES, REINALDO W. A. ; MORAES, JOANA J. S. ; Alves, Cláudio Nahum ; Silva, José Rogério A. . Computational Analysis of Triazole-Based Kojic Acid Analogs as Tyrosinase Inhibitors by Molecular Dynamics and Free Energy Calculations. MOLECULES, 2022. DOI: https://doi.org/10.3390/molecules27238141
DA COSTA, ANA PAULA LIMA ; Silva, José Rogério A. ; DE MOLFETTA, FÁBIO ALBERTO . 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. DOI: https://doi.org/10.1080/08927022.2022.2120625
LIMA, ANDERSON H. ; Silva, José Rogério A. ; Alves, Cláudio Nahum ; Lameira, Jerônimo . QM/MM Study of the Fosfomycin Resistance Mechanism Involving FosB Enzyme. ACS Omega, 2021. DOI: https://doi.org/10.1021/acsomega.1c00096
Silva, José Rogério A.; KRUGER, HENDRIK G. ; MOLFETTA, FÁBIO A. . Drug repurposing and computational modeling for discovery of inhibitors of the main protease (M ) of SARS-CoV-2. RSC Advances, 2021. DOI: https://doi.org/10.1021/acs.biochem.2c00120
SOUZA, ANDRÉ ; CARDOSO, FÁBIO ; MARTINS, LUCAS ; ALVES, CLÁUDIO ; SILVA, JOSÉ ; MOLFETTA, FÁBIO . Molecular Modelling Study of Heteroarylamide/Sulfonamide Compounds with Antitrypanosomal Activity. JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, 2021. DOI: https://dx.doi.org/10.21577/0103-5053.20200158
CANAVIEIRA, LUCIANA MORAIS ; BRASIL, EDIKARLOS MACEDO ; SILVA, THIAGO DE MELO E ; BORGES, ROSIVALDO DOS SANTOS ; SILVA, JOSÉ ROGÉRIO ARAÚJO ; Lameira, Jerônimo ; BERNHARDT, PAUL V. ; WILLIAMS, CRAIG M. ; Alves, Cláudio Nahum . Experimental and theoretical approaches for the development of 4H-Chromene derivatives as inhibitors of tyrosinase. MOLECULAR SIMULATION, 2021. DOI: https://doi.org/10.1080/08927022.2021.1926455
FREITAS, CAMILA AUAD BELTRÃO DE ; ARAÚJO, RAÍSSA CRISTINE SANTOS DE ; PAZ, SIMONE PATRÍCIA ARANHA DA ; SILVA, JOSÉ ROGÉRIO DE ARAÚJO ; Alves, Cláudio Nahum ; Lameira, Jerônimo . OBTENÇÃO E CARACTERIZAÇÃO DE COMPLEXO DE INCLUSÃO DE --CICLODEXTRINA E EUGENOL / PREPARATION AND CHARACTERIZATION OF --CYCLODEXTRIN INCLUSION COMPLEX OF EUGENOL. Brazilian Journal of Development, 2021. DOI: https://doi.org/10.34117/bjdv7n3-838
PEREIRA, PAULO RICARDO MORAES ; ARAÚJO, JÉSSICA DE OLIVEIRA ; Silva, José Rogério A. ; Alves, Cláudio Nahum ; LAMEIRA, JERONIMO ; LIMA, ANDERSON . Exploring chloride selectivity and halogenase regioselectivity of the SalL enzyme through QM/MM modeling. Journal of Chemical Information and Modeling, 2021. DOI: https://doi.org/10.1021/acs.jcim.9b01079
MARTINS, LUCAS SOUSA ; Lameira, Jerônimo ; KRUGER, HENDRIK G. ; Alves, Cláudio Nahum ; Silva, José Rogério A. . 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. DOI: https://doi.org/10.3390/ijms21134783
Silva, José Rogério A.; CIANNI, LORENZO ; ARAUJO, DEBORAH ; BATISTA, PEDRO HENRIQUE JATAI ; DE VITA, DANIELA ; ROSINI, FABIANA ; LEITÃO, ANDREI ; Lameira, Jerônimo ; MONTANARI, CARLOS A. . Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism. Journal of Chemical Information and Modeling, 2020. DOI: https://doi.org/10.1021/acs.jcim.9b01138
QUEIROZ, AMANDA PÂMELA SANTOS ; FREITAS, MANOLO CLEITON COSTA ; Silva, José Rogério A. ; LIMA, ANDERSON BENTES ; SAWADA, LEILA ; MARTINS MONTEIRO, RAYAN FIDEL ; DE FREITAS, ANA CAROLINA GOMES ALBUQUERQUE ; MAUÉS, LUÍS ANTÔNIO LOUREIRO ; ARRUDA, ALBERTO CARDOSO ; SILVA, MILTON NASCIMENTO ; MAIA, CRISTIANE SOCORRO FERRAZ ; FONTES-JÚNIOR, ENÉAS ANDRADE ; DO NASCIMENTO, JOSÉ LUIZ M. ; ARRUDA, MARA SILVIA P. ; BASTOS, GILMARA N. T. . Pellucidin A promotes antinociceptive activity by peripheral mechanisms inhibiting COX-2 and NOS: In vivo and in silico study. PLoS On, 2020. DOI: https://doi.org/10.1371/journal.pone.0238834
APOSTOLOS, ALEXIS J. ; NELSON, JULIA M. ; Silva, José Rogério A. ; Lameira, Jerônimo ; ACHIMOVICH, ALECIA M. ; GAHLMANN, ANDREAS ; Alves, Cláudio N. ; PIRES, MARCOS M. . Facile Synthesis and Metabolic Incorporation of m -DAP Bioisosteres Into Cell Walls of Live Bacteria. ACS CHEMICAL BIOLOGY, 2020. DOI: https://doi.org/10.1021/acschembio.0c00618