2nd Brazil France Symposium on Medicinal Chemistry - Anais

Quimioinformatics, Bioinformatics and TheoreticalChemistry - 17

Cheminformatic Studies of Fabaceae Alkaloids as Potential Therapeutic agents for the Treatment of Toxoplasmosis

Adiel Henrique de Oliveira Pontes , Alan Ferreira Alves , Luciana Scotti , Marcus Tullius Scotti , Mateus Moreira dos Santos , Natália Ferreira de Sousa

Computational Studies of Alkaloids from the Fabaceae Family as Potential Therapeutic Agents for the Treatment of Schistosomiasis

Adiel Henrique de Oliveira Pontes , Alan Ferreira Alves , Luciana Scotti , Marcus Tullius Scotti , Mateus Moreira dos Santos , Natália Ferreira de Sousa

Quimioinformatics, Bioinformatics and TheoreticalChemistry Cheminformatics Alkaloids Schistosomiasis

Computational studies of selenoethylene lactamides with potential anti-SARS-CoV-2 activity

ADIEL HENRIQUE DE OLIVEIRA PONTES , ALAN FERREIRA ALVES , HELIVALDO DIÓGENES DA SILVA SOUZA , LUCIANA SCOTTI , MARCUS TULLIUS SCOTTI , MATEUS MOREIRA DOS SANTOS , NATALIA FERREIRA DE SOUSA , PABLO RAYFF DA SILVA

Quimioinformatics, Bioinformatics and TheoreticalChemistry Computational studies; Selenium compounds; Organic Synthesis; SARS-CoV-2.

Computational tools for lncRNA discovery in rats using long-read sequencing data

Camilla Albertina Dantas de Lima , Júlio César Albuquerque Xavier , Laura Shimohara Bradaschia , Maria Bárbara Borges de Santana , Otávio Pereira Carreiro de Sousa , Thaís Gaudencio do Rêgo* , Vinicius Maracaja-Coutinho*

Quimioinformatics, Bioinformatics and TheoreticalChemistry lncRNAs; Transcriptome; Rattus norvegicus; Public datasests; Nanopore long-reads

Virtual screening of ligands with antiepileptic activity based on the structure of the GABAA receptor

Cláudio Gabriel de Lima Junior , Girlyanderson Araújo da Silva , Karen Cacilda Weber , Rhayane de Oliveira Santos

Quimioinformatics, Bioinformatics and TheoreticalChemistry virtual screening GABAA receptor antiepileptic activity

INVESTIGATION OF THE REACTION MECHANISM OF THE CYS/HIS CATALYTIC DYAD OF CHIKUNGUNYA VIRUS (CHIKV) NSP2

Edeildo Ferreira da Silva-Júnior , Emanuelly Karla Araújo Padilha , Julio Cosme Santos da Silva , Midiane Correia Gomes

Quimioinformatics, Bioinformatics and TheoreticalChemistry Chikungunya (CHIKV) nsP2 protein Antiviral drug development

IN SILICO INSPECTION OF BIOMOLECULAR INTERACTIONS BETWEEN FLUVOXAMINE ANALOGUES AND SARS-COV-2 PROTEIN RECEPTORS

Deyvid Felipe Araújo , Edson Luiz Folador , Jenipher Stephanie Pereira das Neves , Milena Ornilo da Silva

Quimioinformatics, Bioinformatics and TheoreticalChemistry Molecular docking; Virtual screening; Pharmacophore analysis; Molecular dynamics simulations; Bioinformatics analysis; Drug repurposing; Binding affinity; Protein structure prediction.

IN SILICO TARGET FISHING APPROACHES FOR ANTILEISHMANIAL QUINOLINE DERIVATIVES

Claudio G. Lima-Junior , Euzébio G. Barbosa , Jayne M. S. Santos , Jéssika O. Viana , Karen C. Weber , Marília C. da Silva

Quimioinformatics, Bioinformatics and TheoreticalChemistry Target prediction Antileishmanial activity Molecular Docking

Scaffold repositioning of spiro-acridine derivatives as fungi chitinase inhibitor by target fishing and in vitro studies

Eden Silva e Souza , Euzébio Guimarães Barbosa , Jessika de Oliveira Viana , Joilly Nilce Santana Gomes , Marilene Henning Vainstein , Nicolau Sbaraini , Ricardo Olímpio de Moura

Quimioinformatics, Bioinformatics and TheoreticalChemistry receptor-based virtual screening; acridine derivatives; aspergillosis.

Evolution of Crosslinking Methods in Obtaining Alginate Hydrogels for Drug Delivery

Antônia Carla de Jesus Oliveira , Expedito Lopes Fernandes Júnior , José Lamartine Soares Sobrinho , Mônica Felts de La Roca Soares

Quimioinformatics, Bioinformatics and TheoreticalChemistry Crosslinking hydrogel polymer alginate modification.

Cinnamic Acid Derivatives as Potential Inhibitors of Leishmania major Dihydrofolate Reductase-Thymidylate Synthase: A Comprehensive Computational Approach

Adrián Sierra-Chavarro , Chonny Herrera-Acevedo , Ericsson Coy-Barrera , Luciana Scotti , Marcus Tullius Scotti , María Camila Muñoz-Vega , Sofía López-Hernández

Quimioinformatics, Bioinformatics and TheoreticalChemistry Asteraceae Flavonoids Leishmania Lignans Natural products.

In Silico Assessment of Toxicity and Affinity of Remdesivir Analogs Against SARS-CoV-2 Proteins

Ana Letícia Fernandes , Caio César Maia Medeiros , Edson Luiz Folato , Jenipher Stephanie Pereira das Neves , Vitória Fernandes Ferro

Quimioinformatics, Bioinformatics and TheoreticalChemistry COVID-19 Structural Proteins Remdesivir

Inspection of biomolecular interactions between remdesivir analogues against SARS-CoV-2 structural and non-structural protein receptors

Beatriz Frederico Oliveira Silveira , Edson Luiz Folador , Vitoria Fernandes Ferro

Quimioinformatics, Bioinformatics and TheoreticalChemistry COVID-19 Remdesivir Analogues

DEVELOPMENT OF A PREDICTIVE QSAR MODEL FOR THE DISCOVERY OF NEW THIAZOLIDINES AGAINST TRYPANOSOMA CRUZI

Edeildo Ferreira da Silva-Júnior , Edmilson Rodrigues da Rocha Junior , Marcone Gomes dos Santos Alcântara , Thiago Mendonça de Aquino

Quimioinformatics, Bioinformatics and TheoreticalChemistry QSAR thiazolidines trypanocidal agents neglected diseases Trypanosoma cruzi

INSPECTION OF BIOMOLECULAR INTERACTIONS BETWEEN NITAZOXANIDE AND STRUCTURAL AND NON-STRUCTURAL PROTEIN RECEPTORS OF SARS-COV-2

Arthur Araújo de Lacerda , Edson Luiz Folador , Jenipher Stephanie Pereira das Neves

Quimioinformatics, Bioinformatics and TheoreticalChemistry covid-19; drug; pharmacophoric groups; toxicity; Nitazoxanide.

DISTRIBUTED PROCESSING SYSTEM DEVELOPMENT APPLIED TO VIRTUAL SCREENING

Arthur Araújo de Lacerda , Edson Luiz Folador , Jenipher Stephanie Pereira das Neves

Quimioinformatics, Bioinformatics and TheoreticalChemistry bioinformatics. covid-19. distributed processing. virtual screening

MOLECULAR DOCKING OF ARYL SEMICARBAZONE AND ARYL THIOSEMICARBAZE DERIVATES AGAINST ENZYME KINASES

Abner Lins Dantas , Dalci José Brondani , Elizabeth Fernanda de Oliveira Borba , George Torres de Lima , José Rivaldo de Lima , Rodrigo Ribeiro Alves Caiana , Teresinha Gonçalves da Silva , Yasmim Meneses Silva

Quimioinformatics, Bioinformatics and TheoreticalChemistry Molecular dynamics simulation semicarbazones kinases

Voltar

Biology, Pharmacology and Physiology
Drug Design and Discovery, Synthesis and Natural Products
Quimioinformatics, Bioinformatics and TheoreticalChemistry

Área temática - 34 resultados

Caracterização Físico-Química de sabugo de milho (Zea Mays L.) in natura e pré-tratado para aplicação como bioadsorventes

Gustavo Silva de Oliveira, Simonny Montthieln Araújo Vasconcelo, Adriano Jakelaitism, Leando Spindola Pereira, Gustava Dorneles de Souza