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抗氧化潜力及茶叶和黑茶中生物活性化合物与细胞色素 P450 的分子对接。

Antioxidant potential and molecular docking of bioactive compound of Camellia sinensis and Camellia assamica with cytochrome P450.

机构信息

Gurukula Kangri (Deemed to be University), Haridwar, Uttarakhand, India.

Uttaranchal (P.G) College of Biomedical Sciences and Hospital, Dehradun, Uttarakhand, India.

出版信息

Arch Microbiol. 2022 May 26;204(6):350. doi: 10.1007/s00203-022-02949-z.

DOI:10.1007/s00203-022-02949-z
PMID:35616739
Abstract

Camellia sinensis and Camellia assamica are well known for their medicinal and therapeutic potential. The purpose of this work is to assess the flavonoid content and antioxidant potential of methanol extracts of C. sinensis (MES) and acetone extract of C. assamica (AEA) experimentally and computationally. Qualitative analysis was done to assess the presence of flavonoids. Further, the antioxidant potential of MES and AEA was done by ABTS (2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid)) and superoxide free radical-scavenging activity. The profiling of functional groups was analyzed by FT-IR analysis. The bioactive compounds n-heptadecanol-1 of MES and 2',6'-dihydroxyacetophenone, bis(trimethylsilyl) ether of AEA were procured from our previous study to analyze their antioxidant potential computationally (Auto-dock Vina). Both the extracts showed their potential to neutralize free radicals with variable potency. The study of the molecular interactions revealed that both the extracts MES and AEA interacted to the active site with higher binding energy. This work deduced that n-heptadecanol-1 and 2',6'-dihydroxyacetophenone, bis(trimethylsilyl) ether have good potential to inhibit and scavenge the free radicals.

摘要

茶树和阿萨姆茶以其药用和治疗潜力而闻名。本工作旨在实验和计算上评估茶树甲醇提取物(MES)和阿萨姆茶丙酮提取物(AEA)的类黄酮含量和抗氧化潜力。进行了定性分析以评估类黄酮的存在。此外,通过 ABTS(2,2'-偶氮-双(3-乙基苯并噻唑啉-6-磺酸))和超氧自由基清除活性来评估 MES 和 AEA 的抗氧化潜力。通过 FT-IR 分析分析了功能基团的分布。从我们之前的研究中获得了 MES 的正十七烷醇-1 和 AEA 的 2',6'-二羟基苯乙酮、双(三甲基甲硅烷基)醚这两种生物活性化合物,以分析它们的抗氧化潜力(Auto-dock Vina)。这两种提取物都表现出中和自由基的潜力,但其效力不同。分子相互作用的研究表明,MES 和 AEA 两种提取物都与活性位点相互作用,具有更高的结合能。本研究推断,正十七烷醇-1 和 2',6'-二羟基苯乙酮、双(三甲基甲硅烷基)醚具有良好的抑制和清除自由基的潜力。

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本文引用的文献

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Studies on free radicals, antioxidants, and co-factors.关于自由基、抗氧化剂和辅助因子的研究。
Clin Interv Aging. 2007;2(2):219-36.
一种具有抗氧化活性的内生裂褶菌在暴露于双酚 A 的淡水鱼 Channa punctatus 中表现出遗传保护和器官保护作用。
BMC Microbiol. 2022 Dec 6;22(1):291. doi: 10.1186/s12866-022-02713-9.