Identification of Novel PPAR-β/δ Agonists from Kaempferol, Quercetin, and Resveratrol Derivatives by Targeting Cancer: An Integrative Molecular Docking and Dynamics Simulation Approach | Literature Database for Quercetin, Rutin, Isorhamnetin, and Their Related Compounds | Alps Pharmaceutical Ind. Co.,Ltd.

Literature Database for Quercetin, Rutin, Isorhamnetin, and Their Related Compounds

Identification of Novel PPAR-β/δ Agonists from Kaempferol, Quercetin, and Resveratrol Derivatives by Targeting Cancer: An Integrative Molecular Docking and Dynamics Simulation Approach

Authors:: Sangeeta Ballav; Kiran Bharat Lokhande; Vishal Kumar Sahu; Rohit Singh Yadav; K. Venkateswara Swamy; Soumya Basu

Reference:: Letters in Drug Design & Discovery; 2024; 21; 749-762

DOI:: 10.2174/1570180820666221214152939

See Abstract

Key Words:: PPAR-β/δ Agonists; molecular docking; virtual screening; 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate; (E)-1-(3,4,5-trihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propene; 2-hydroxy-3-(2,6,7-trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid; molecular dynamics simulation

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