2023
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: http://dx.doi.org/10.3389/fchem.2022.1061624
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 Advance, 2023. DOI: https://doi.org/10.1039/D2RA06246A
BONATTO, VINÍCIUS ; LAMEIRO, RAFAEL F. ; ROCHO, FERNANDA R. ; Lameira, Jerônimo ; LEITÃO, ANDREI ; MONTANARI, CARLOS A. . Nitriles: an attractive approach to the development of covalent inhibitors. Rsc Medicinal Chemistry, 2023. DOI: https://doi.org/10.1039/D2MD00204C
DOS SANTOS, ANDRÉ FLORES ; MARTINS, MIRKOS ORTIZ ; Lameira, Jerônimo ; DE OLIVEIRA ARAÚJO, JÉSSICA ; FRIZZO, MARCELA SAGRILO ; DAVIDSON, CAROLINA BORDIN ; DE SOUZA, DIULIE VALENTE ; MACHADO, ALENCAR KOLINSKI ; MORTARI, SÉRGIO ROBERTO ; DRUZIAN, DANIEL MORO ; TONEL, MARIANA ZANCAN ; DA SILVA, IVANA ZANELLA ; FAGAN, SOLANGE BINOTTO . Evaluation interaction of graphene oxide with heparin for antiviral blockade: a study of ab initio simulations, molecular docking, and experimental analysis. JOURNAL OF MOLECULAR MODELING, v. 29,, 2023. DOI: http://dx.doi.org/10.1007/s00894-023-05645-x
MENESES, CARLA CAROLINA FERREIRA ; DE SOUSA, PAULO ROBSON MONTEIRO ; LIMA, KELY CAMPOS NAVEGANTES ; SOUZA, LISA MARIA MENDES DE ALMEIDA ; FEIO, WALDECI PARAGUASSU ; REMÉDIOS, CLÁUDIO MÁRCIO ROCHA ; JOUIN, JENNY ; THOMAS, PHILIPPE ; MASSON, OLIVIER ; ALVES, Cláudio Nahum ; Lameira, Jerônimo ; MONTEIRO, MARTA CHAGAS . Caffeic Acid-Zinc Basic Salt/Chitosan Nanohybrid Possesses Controlled Release Properties and Exhibits In Vivo Anti-Inflammatory Activities. MOLECULES, 2023. DOI: http://dx.doi.org/10.3390/molecules28134973
MARTINS, LUAN CARVALHO ; DE OLIVEIRA, RENATA BARBOSA ; Lameira, Jerônimo ; FERREIRA, RAFAELA SALGADO . Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism. Journal of Chemical Information and Modeling, 2023. DOI: http://dx.doi.org/10.1021/acs.jcim.2c01566
DE OLIVEIRA, MAYCON VINICIUS; ALMEIDA, LEONARDO ; DA ROCHA, JOÃO ; WANZELLER, ANA LUCIA ; LIMA, ANDERSON . A Combined Approach for Predicting Binding Affinity of Zika Virus NS2B-NS3 Protease Inhibitors Using Semi-Empirical Methods and Molecular Docking Algorithms. JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, 2023. DOI: http://dx.doi.org/10.21577/0103-5053.20230130
DE SOUZA, ELEANE MONALIZA DE CERQUEIRA ; DE OLIVEIRA, MAYCON VINICIUS DAMASCENO ; SIQUEIRA, JOSÉ EDSON DE SOUSA ; ROCHA, DANIELA CRISTIANE DA CRUZ ; MARINHO, ANDERSON DO NONATO ROSARIO ; MARINHO, ANDREY MOACIR DO ROSARIO ; MARINHO, PATRÍCIA SANTANA BARBOSA ; LIMA, ANDERSON H. . Molecular characterization and in silico evaluation of surfactins produced by endophytic bacteria from Phanera splendens. Frontiers in Chemistry, 2023. DOI: http://dx.doi.org/10.3389/fchem.2023.1240704