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揭示天然和半合成酰化黄酮类化合物的化学结构和生物学作用:分子对接视角下的探讨。

Unveiling Natural and Semisynthetic Acylated Flavonoids: Chemistry and Biological Actions in the Context of Molecular Docking.

机构信息

Department of Pharmacognosy, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo 11837, Egypt.

Pharmacognosy Department, Faculty of Pharmacy, Misr International University, Cairo, Egypt.

出版信息

Molecules. 2022 Aug 26;27(17):5501. doi: 10.3390/molecules27175501.

Abstract

Acylated flavonoids are widely distributed natural metabolites in medicinal plants and foods with several health attributes. A large diversity of chemical structures of acylated flavonoids with interesting biological effects was reported from several plant species. Of these, 123 compounds with potential antimicrobial, antiparasitic, anti-inflammatory, anti-nociceptive, analgesic, and anti-complementary effects were selected from several databases including SCI-Finder, Scopus, Google Scholar, Science Direct, PubMed, and others. Some selected reported biologically active flavonoids were docked in the active binding sites of some natural enzymes, namely acetylcholinesterase, butyrylcholinesterase, α-amylase, α-glucosidase, aldose reductase, and HIV integrase, in an attempt to underline the key interactions that might be responsible for their biological activities.

摘要

酰化黄酮类化合物是药用植物和食品中广泛分布的天然代谢产物,具有多种健康属性。从多种植物物种中报道了具有有趣生物活性的酰化黄酮类化合物的大量化学结构多样性。其中,从包括 SCI-Finder、Scopus、Google Scholar、Science Direct、PubMed 等在内的多个数据库中选择了具有潜在抗菌、抗寄生虫、抗炎、抗伤害、镇痛和抗补体作用的 123 种化合物。一些选定的具有生物活性的黄酮类化合物被对接在一些天然酶的活性结合位点上,即乙酰胆碱酯酶、丁酰胆碱酯酶、α-淀粉酶、α-葡萄糖苷酶、醛糖还原酶和 HIV 整合酶,试图强调可能负责其生物活性的关键相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5433/9458193/2d2b2a47d680/molecules-27-05501-g001.jpg

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