<i>Hibiscus sabdariffa</i> anthocyanins are potential modulators of estrogen receptor alpha activity with favourable toxicology: a computational analysis using molecular docking, ADME/Tox prediction, 2D/3D QSAR and molecular dynamics simulation.

Laskar, Yahyea Baktiar; Mazumder, Pranab Behari; Talukdar, Anupam Das

Hibiscus sabdariffa anthocyanins are potential modulators of estrogen receptor alpha activity with favourable toxicology: a computational analysis using molecular docking, ADME/Tox prediction, 2D/3D QSAR and molecular dynamics simulation.

Laskar, Yahyea Baktiar; Mazumder, Pranab Behari; Talukdar, Anupam Das.

Afiliação

Laskar YB; Natural Product and Biomedicine Research Laboratory, Department of Biotechnology, Assam University, Silchar, India.
Mazumder PB; Natural Product and Biomedicine Research Laboratory, Department of Biotechnology, Assam University, Silchar, India.
Talukdar AD; Ethnobotany and Medicinal Plants Research Laboratory, Department of Life Science & Bioinformatics, Assam University, Silchar, India.

J Biomol Struct Dyn ; 41(2): 611-633, 2023 02.

Article em En | MEDLINE | ID: mdl-34854367

Assuntos

Neoplasias da Mama; Hibiscus; Humanos; Feminino; Antocianinas/farmacologia; Antocianinas/química; Extratos Vegetais/farmacologia; Extratos Vegetais/química; Hibiscus/química; Simulação de Acoplamento Molecular; Receptor alfa de Estrogênio; Simulação de Dinâmica Molecular; Relação Quantitativa Estrutura-Atividade; Estrogênios

Palavras-chave

Hibiscus sabdariffa L.; In silico; SERM; anthocyanin; estrogen receptor; phytochemical

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Neoplasias da Mama / Hibiscus Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Female / Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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