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代谢组学分析和虚拟筛选辅助下 的根的抗抑郁潜力。

Antidepressant potential of roots assisted by metabolomic analysis and virtual screening.

机构信息

Faculty of Pharmacy, Department of Pharmacognosy, Minia University, Minia, Egypt.

Faculty of Pharmacy, Department of Medicinal Chemistry, Minia University, Minia, Egypt.

出版信息

Nat Prod Res. 2021 Dec;35(23):5493-5497. doi: 10.1080/14786419.2020.1788019. Epub 2020 Jul 1.

Abstract

Depression is a common mental disturbance that can be categorized as mild, moderate or severe. Mesemberine alkaloids, the main recognized phytoconstituents of some plants belonging to family Mesembryanthemaceae, are well-known as serotonin reuptake inhibitors. Therefore, the objective of this study is to evaluate the antidepressant activity of the alkaloidal fraction of L.f. () roots, family Mesembryanthemaceae using forced swimming test, assisted by metabolomic analysis and ligand-based and structure-based screening. Results showed that the alkaloidal fraction displayed an antidepressant activity superior to imipramine hydrochloride, a standard antidepressant agent. Nine alkaloids were annotated from the metabolomic analysis. Interestingly, among the dereplicated constituents, mesembrane () displayed strong binding affinity to SERT protein, which is slightly higher than the antidepressant drug venlafaxine. In conclusion, the alkaloidal fraction of the (. ) root exhibits an antidepressant activity which can be attributed in part to mesembrane ().

摘要

抑郁症是一种常见的精神障碍,可以分为轻度、中度或重度。作为某些属于马齿苋科植物的主要植物化学成分,美沙冬胺生物碱是众所周知的血清素再摄取抑制剂。因此,本研究的目的是使用代谢组学分析和基于配体和基于结构的筛选,评估马齿苋科植物 L.f. ()根的生物碱部分的抗抑郁活性。结果表明,生物碱部分显示出比盐酸丙咪嗪(一种标准抗抑郁药)更强的抗抑郁活性。从代谢组学分析中注释了 9 种生物碱。有趣的是,在去重复的成分中,美沙冬胺()显示出与 SERT 蛋白的强结合亲和力,略高于抗抑郁药文拉法辛。总之, ()根的生物碱部分表现出抗抑郁活性,部分归因于美沙冬胺()。

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