Identification of novel C-15 fluoro isosteviol derivatives for GABA-AT inhibition by in silico investigations.

Salaria, Punam; Akshinthala, Parameswari; Kapavarapu, Ravikumar; M, Amarendar Reddy

Salaria, Punam; Akshinthala, Parameswari; Kapavarapu, Ravikumar; M, Amarendar Reddy.

Afiliación

Salaria P; School of Sciences (Chemistry), National Institute of Technology Andhra Pradesh, Tadepalligudem, Andhra Pradesh, India.
Akshinthala P; Department of Science and Humanities, MLR Institute of Technology, Dundigal, Hyderabad, Telangana, India.
Kapavarapu R; Department of Pharmaceutical Chemistry and Photochemistry, Nirmala College of Pharmacy, Mangalagiri, Andhra Pradesh, India.
M AR; School of Sciences (Chemistry), National Institute of Technology Andhra Pradesh, Tadepalligudem, Andhra Pradesh, India. amarendar@nitandhra.ac.in.

J Mol Model ; 29(3): 76, 2023 Feb 24.

Article en En | MEDLINE | ID: mdl-36826597

Asunto(s)

Epilepsia; Transaminasas; Humanos; Simulación del Acoplamiento Molecular; Transaminasas/metabolismo; Ligandos; Ácido gamma-Aminobutírico/metabolismo; Simulación de Dinámica Molecular

Palabras clave

C-15 fluoro isosteviol analogs; Epilepsy; GABA-AT inhibitor; Molecular docking; Molecular dynamic simulation

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Epilepsia / Transaminasas Tipo de estudio: Diagnostic_studies / Prognostic_studies Límite: Humans Idioma: En Revista: J Mol Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2023 Tipo del documento: Article País de afiliación: India

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