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Synthesis, Antioxidant and Molecular Docking Studies of (?)-Catechin Derivatives

대한화학회지 2021년 65권 2호 p.106 ~ 112
Kumar Deepak, Kumar Raj, Ramajayam R., 이근우, 신동수,
소속 상세정보
 ( Kumar Deepak ) - Changwon National University Department of Chemistry
 ( Kumar Raj ) - Gyeongsang National University Research Institute of Natural Science
 ( Ramajayam R. ) - DIT University Pharmacy Department
이근우 ( Lee Keun-Woo ) - Gyeongsang National University Division of Applied Life Science
신동수 ( Shin Dong-Soo ) - Changwon National University Department of Chemistry

Abstract


12 kinds of (?)-catechin derivatives were designed and synthesized. The catechin derivatives were evaluated their antioxidant activities using DPPH method. Most of them showed good antioxidant activity, particularly compounds 1d, 1e and 1j exhibited more activity than butylated hydroxytoluene (BHT). Molecular docking studies for compounds 1d, 1e and 1j with STAT1 showed not only sufficent characteristics binding cavity but also agreement with the observed biological activity. Acording to docking results, the compounds showed greater than hydrogen bonding, hydrophobic interactions, electrostatic interactions, and Van der Waals interactions as compared to the reference compound. They formed hydrogen bonds with important residues such as Lys566, His568, Leu570, and Phe644. The compounds showed a novel hydrogen bonding interaction with Arg649, which was not reported previously. Our results might suggest the compounds could serve as a novel anti-oxidant agent.

키워드

Catechin; Antioxidants; Molecular docking; STAT1; BHT

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