Extrapolation of hydroxytyrosol and its analogues as potential anti-inflammatory agents.

Kumar, Naresh; Gorai, Biswajit; Gupta, Saurabh; Goel, Nidhi

Kumar, Naresh; Gorai, Biswajit; Gupta, Saurabh; Goel, Nidhi.

Afiliación

Kumar N; Discipline of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Simrol, Madhya Pradesh, India.
Gorai B; Center for Condensed Matter Theory, Department of Physics, Indian Institute of Science, Bangalore, India.
Gupta S; AgriGenome labs Pvt. Ltd. SINC, IKP Knowledge Park, Genome Valley, Hyderabad, India.
Shiva; Department of Chemistry, Institute of Science, Banaras Hindu University, Varanasi, India.
Goel N; Department of Chemistry, Institute of Science, Banaras Hindu University, Varanasi, India.

J Biomol Struct Dyn ; 39(15): 5588-5599, 2021 09.

Article en En | MEDLINE | ID: mdl-32672527

Asunto(s)

Antiinflamatorios; Simulación de Dinámica Molecular; Humanos; Ligandos; Simulación del Acoplamiento Molecular; Alcohol Feniletílico/análogos & derivados

Palabras clave

ADMET; Hydroxytyrosol; MM-PBSA; density functional theory; dynamics simulations

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Simulación de Dinámica Molecular / Antiinflamatorios Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2021 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido

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