2021
FERREIRA MENESES, CARLA CAROLINA ; MONTEIRO DE SOUSA, PAULO ROBSON ; PINTO, LAINE CELESTINO ; COELHO, GERSON MACIEL ; FERREIRA DA SILVA, TAMIRES ; FERREIRA, LUAN OLIVEIRA ; GUSTAVO, KAYO SILVA ; MARTINS-FILHO, ARNALDO JORGE ; FAIAL, KELSON DO CARMO FREITAS ; YAMADA, ELIZABETH SUMI ; Lameira, Jerônimo ; JOUIN, JENNY ; THOMAS, PHILIPPE ; MASSON, OLIVIER ; FAVACHO LOPES, DIELLY CATRINA ; ALVES, Cláudio Nahum . Layered double hydroxide-indomethacin hybrid: A promising biocompatible compound for the treatment of neuroinflammatory diseases. JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY, 2021. DOI: http://dx.doi.org/10.1016/j.jddst.2020.102190
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: http://dx.doi.org/10.34117/bjdv7n3-838
CIANNI, LORENZO ; ROCHO, FERNANDA DOS REIS ; BONATTO, VINÍCIUS ; MARTINS, FELIPE CARDOSO PRADO ; Lameira, Jerônimo ; LEITÃO, ANDREI ; MONTANARI, CARLOS A. ; SHAMIM, ANWAR . Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L. BIOORGANIC & MEDICINAL CHEMISTRY, 2021. DOI: http://dx.doi.org/10.1016/j.bmc.2020.115827
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: http://dx.doi.org/10.1021/acsomega.1c00096
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: http://dx.doi.org/10.1080/08927022.2021.1926455
SANTANA, KAUÊ ; DO NASCIMENTO, LIDIANE DINIZ ; LIMA E LIMA, ANDERSON ; DAMASCENO, VINÍCIUS ; NAHUM, CLAUDIO ; BRAGA, RODOLPHO C. ; Lameira, Jerônimo . Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products. Frontiers in Chemistry, 2021. DOI: http://dx.doi.org/10.3389/fchem.2021.662688
BONATTO, VINÍCIUS ; SHAMIM, ANWAR ; ROCHO, FERNANDA DOS R. ; LEITÃO, ANDREI ; LUQUE, F. JAVIER ; Lameira, Jerônimo ; MONTANARI, CARLOS A. . Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. Journal of Chemical Information and Modeling, 2021. DOI: http://dx.doi.org/10.1021/acs.jcim.1c00515
DE O. ARAÚJO, JÉSSICA ; PINHEIRO, SILVANA ; ZAMORA, WILLIAM J. ; ALVES, Cláudio Nahum ; Lameira, Jerônimo ; Lima, Anderson H. . Structural, energetic and lipophilic analysis of SARS-CoV-2 non-structural protein 9 (NSP9). Scientific Reports, 2021. DOI: http://dx.doi.org/10.1038/s41598-021-02366-0
DA COSTA, CLAUBER HENRIQUE SOUZA ; DOS SANTOS, ALBERTO M. ; ALVES, Cláudio Nahum ; MARTÍ, SÉRGIO ; Moliner, Vicent ; SANTANA, KAUÊ ; Lameira, Jerônimo . Assessment of thePETaseconformational changes induced by poly(ethylene terephthalate) binding. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATIC, 2021. DOI: http://dx.doi.org/10.1002/prot.26155
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
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
SOUSA, KELLY ROBERTA DE ; SOUZA, MILENA COSTA ; CONCEIÇÃO, JOICE MENESES DA ; CORDEIRO, GABRIELA RENATA CABRAL ; SANTOS, BEATRIZ DE LIMA ; FERREIRA, TARCISIO DA CONCEIÇÃO ; MARTINS, LUCAS DE SOUSA ; CABRAL, ANA CRISTINA DE SOUZA . Avaliação do processo fermentativo do caldo de mandiocaba (Manihot esculenta crantz) para produção de etanol. CONJECTURAS, v. 21, p. 555-573, 2021. DOI: http://dx.doi.org/10.53660/CONJ-459-517