Ensemble-based high-throughput virtual screening of natural ligands using the Super Natural-II database against cell-wall protein dTDP-4-dehydrorhamnose reductase (RmlD) in <i>Mycobacterium tuberculosis</i>.

Ravichandran, Rahul; Ridzwan, Nor Farrah Wahidah; Mohamad, Saharuddin Bin

Ensemble-based high-throughput virtual screening of natural ligands using the Super Natural-II database against cell-wall protein dTDP-4-dehydrorhamnose reductase (RmlD) in Mycobacterium tuberculosis.

Ravichandran, Rahul; Ridzwan, Nor Farrah Wahidah; Mohamad, Saharuddin Bin.

Afiliação

Ravichandran R; DiSTABiF, Università degli Studi della Campania "Luigi Vanvitelli", Caserta, Italy.
Ridzwan NFW; School of Chemical and Biotechnology, SASTRA University, Thanjavur, India.
Mohamad SB; Institute of Biological Sciences, Faculty of Science, University of Malaya, Kuala Lumpur, Malaysia.

J Biomol Struct Dyn ; 40(11): 5069-5078, 2022 07.

Article em En | MEDLINE | ID: mdl-33382017

Assuntos

Mycobacterium tuberculosis; Antibacterianos; Antituberculosos/farmacologia; Proteínas de Bactérias/química; Desidrogenases de Carboidrato; Parede Celular; Ligantes; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular

Palavras-chave

dTDP-4-dehydrorahmnose reductase (RmlD); molecular dynamics; virtual screening

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Mycobacterium tuberculosis Tipo de estudo: Diagnostic_studies / Screening_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google