Homology modeling of Forkhead box protein C2: identification of potential inhibitors using ligand and structure-based virtual screening.

Ibrahim, Mayar Tarek; Lee, Jiyong; Tao, Peng

Ibrahim, Mayar Tarek; Lee, Jiyong; Tao, Peng.

Afiliação

Ibrahim MT; Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, TX, USA.
Lee J; Department of Chemistry and Biochemistry, The University of Texas at Tyler, Tyler, TX, USA.
Tao P; Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, TX, USA. ptao@smu.edu.

Mol Divers ; 27(4): 1661-1674, 2023 Aug.

Article em En | MEDLINE | ID: mdl-36048303

Assuntos

Antineoplásicos; Simulação de Dinâmica Molecular; Ligantes; Antineoplásicos/farmacologia; Fatores de Transcrição Forkhead/metabolismo

Palavras-chave

De novo structure-based design; Forkhead box protein C2; Homology modeling; MC-1-F2; MM/GBSA; Similarity search

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Antineoplásicos Tipo de estudo: Diagnostic_studies / Screening_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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