Prioritization of bioactive compounds envisaging yohimbine as a multi targeted anticancer agent: insight from molecular docking and molecular dynamics simulation.

Jabir, Nasimudeen R; Rehman, Md Tabish; AlAjmi, Mohamed F; Ahmed, Bakrudeen Ali; Tabrez, Shams

Jabir, Nasimudeen R; Rehman, Md Tabish; AlAjmi, Mohamed F; Ahmed, Bakrudeen Ali; Tabrez, Shams.

Afiliación

Jabir NR; Department of Biochemistry, Centre for Research and Development, PRIST University, Thanjavur, Tamil Nadu, India.
Rehman MT; Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia.
AlAjmi MF; Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia.
Ahmed BA; Department of Biochemistry, Centre for Research and Development, PRIST University, Thanjavur, Tamil Nadu, India.
Tabrez S; King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Saudi Arabia.

J Biomol Struct Dyn ; 41(20): 10463-10477, 2023 12.

Article en En | MEDLINE | ID: mdl-36533328

Asunto(s)

Antineoplásicos; Simulación de Dinámica Molecular; Simulación del Acoplamiento Molecular; Ligandos; Antineoplásicos/farmacología; Yohimbina/farmacología

Palabras clave

Anticancer; molecular dynamic simulation; multitargeting; proteinligand interaction; virtual screening

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Simulación de Dinámica Molecular / Antineoplásicos Tipo de estudio: Prognostic_studies Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido

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