3rd Brazil-France Symposium on Medicinal Chemistry - Anais

Theoretical Chemistry and Molecular Modeling - 11

CHARACTERIZATION OF THE INTERACTION OF THE FLAVONOIDS NARINGENIN AND FORMONONETIN WITH B-CYCLODEXTRIN

Arthur Luy Tavares F. Borges , Emanoel G. da Silva Junior , Fernanda Geny C. Silva , Jeniffer C. Freitas dos Santos , Kathylen Vitória Ferreira dos Santos , Monique A. Vila Nova , Nataly C. Soares Gama , Nathalia M. Lins Freire , Salvana P. Manso Costa , Shirley V. Amorim , Ticiano G. do Nascimento

DRUG REPOSITIONING FOR OROPOUCHE VIRUS TARGETS

Edeildo Ferreira da Silva Junior , Mirely Vitória Farias da Silva

Theoretical Chemistry and Molecular Modeling In silico study Molecular docking OROV Viral proteins.

DRUG REPURPOSING FOR NSP2 INHIBITION IN CHIKUNGUNYA VIRUS: MOLECULAR DOCKING AND DFT ANALYSIS

Edeildo Ferreira da Silva Júnior , Emanuelly Karla Araújo Padilha , Julio Cosme santos da Silva , Leandro Rocha Silva , Midiane Correia Gomes

Theoretical Chemistry and Molecular Modeling CHIKV Molecular Dynamics (MD) Molecular Docking (MD) DFT

DUNASCREEN: AN AUTOMATED TOOL FOR STRUCTURE-BASED VIRTUAL SCREENING

Euzébio Guimarães Barbosa , Rodrigo Oliveira Lourenço

Theoretical Chemistry and Molecular Modeling Structure-Based Virtual Screening: Molecular Docking; Bioinformatics.

EXPLORING THE ANTI-UREOLYTIC POTENTIAL OF BIGINELLI ADDUCTS: A COMPUTATIONAL STUDY

Angelô de Fátima , Ari Souza Guimaraes , Eduardo E. Alberto , Josué Carinhanha Caldas Santos , Júlio Cosme Santos da Silva , Luzia V. Modolo , Nathália Evelyn Morais Costa , Nathalia Monteiro Lins Freire , Pedro Henrique Costa dos Santos , Thiago Mendonça de Aquino

Theoretical Chemistry and Molecular Modeling Urease inhibitors Biginelli adducts Molecular dynamics DFT

EXPLORING UREASE INHIBITION: COMPUTATIONAL ANALYSIS OF CINNAMOYL HYDROXAMIC ACIDS

Angelô de Fatima , Ari S. Guimaraes , Cleiton M. da Silva , Josué C.C. Santos , Lilian Maysa Santos , Luciana P.S. Viana , Luzia V. Modolo , Nathalia M.L. Freire , Thiago M. de Aquino

Theoretical Chemistry and Molecular Modeling a b-unsaturated hydroxamic acid Urease inhibitor in silico studies molecular dynamics

LigBRs: Automated Software for the Creation of Chemical Libraries.

Euzébio Guimarães Barbosa , Felipe Fernando Bezerra Santiago

Theoretical Chemistry and Molecular Modeling Fragment-Based Drug Design Conformational Integrity Molecular Modeling Software

Molecular Docking of Thiophene-Acridine Derivatives

Alanna de Almeida Cardoso , Elquio Eleamen de Oliveira , Francisco Jaime Bezerra Mendonca Junior , Igor José dos Santos Nascimento , Malu Maria Lucas dos Reis , Ricardo Olímpio de Moura , Sonaly Lima Albino

Theoretical Chemistry and Molecular Modeling Molecular docking Thiophene-acridine derivatives Leishmania amazonensis Multitarget inhibitors.

MOLECULAR MODELING PROPOSES Schistosoma mansoni CATHEPSIN-B1 (SmCB1) INHIBITION BY SPIRO-ACRIDINE DERIVATIVES

Arthur Gabriel Corrêa de Farias , Fernanda de França Genuíno Ramos Campos , Igor José dos Santos Nascimento , Ricardo Olímpio de Moura

Theoretical Chemistry and Molecular Modeling schistosomiasis spiro-acridines molecular docking density functional theory

QSAR MODELS DEVELOPMENT FOR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS EIS PROTEIN

Carla Caroline Ribeiro de Mendonça , Edeildo Ferreira da Silva junior

Theoretical Chemistry and Molecular Modeling QSAR Tuberculosis Eis Protein Mycobacterium tuberculosis

TARGET FISHING AND MOLECULAR DYNAMICS SIMULATIONS OF ANTITUBERCULAR 1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE

Alessandro K. Jordão , Euzébio G. Barbosa , Samara F. Ferreira

Theoretical Chemistry and Molecular Modeling molecular dynamics simulations antitubercular 1 2 4-triazole-4-carbohydrazie target fishing

Voltar

Organic Chemistry
Medicinal Chemistry
Natural Products Chemistry
Theoretical Chemistry and Molecular Modeling
Organic Synthesis
Biological Evaluation of Bioactive Products