Exploring the anxiolytic mechanism of Fructus gardeniae based on metabolomics, network pharmacology, and molecular docking.

IF 2.8 4区医学 Q2 PHARMACOLOGY & PHARMACY

Journal of Pharmacy and Pharmacology Pub Date : 2024-10-03 DOI:10.1093/jpp/rgad102

Yue Tian, Fuli Yuan, Jiao Kong, Zhenshuang Yuan, Chunxue Jia, Hongqian Kui, Ziqiang Yin, Chuanxin Liu, Jianmei Huang

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引用次数: 0

Abstract

Objective: To explore the effect and anxiolytic mechanism of a natural remedy called Fructus gardeniae (FG).

Methods: The elevated-plus maze (EPM) test was used to confirm the anxiolytic effect of FG. The potential and anxiolytic components, targets, and route processes of FG were investigated using the network pharmacology method in conjunction with metabolomics and molecular docking technologies.

Results: FG could greatly enhance the proportion of time and times of opening arms, according to the EPM data. As to the metabolomics findings, a total of 61 distinct metabolites were found, mainly involved in glycine, serine, and threonine metabolism as well as alanine, aspartate, and glutamate metabolism. The primary active ingredients of FG, nicotiflorin, jasminodiol, and crocetin, demonstrated substantial binding affinities with monoamine oxidase A (MAOA), monoamine oxidase A (ACHE), malate dehydrogenase 2 (MDH2), glutamate decarboxylase 2 (GAD2), glutamate decarboxylase 1 (GAD1), and nitric oxide synthase (NOS1), according to the findings of network pharmacology and molecular docking.

Conclusion: FG exerts an anxiolytic action via targeting MAOA, ACHE, MDH2, GAD2, GAD1, and NOS1, and regulating the metabolism of glycine, serine, and threonine as well as alanine, aspartic acid, and glutamic acid.

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基于代谢组学、网络药理学和分子对接，探索栀子的抗焦虑机制。

目的：探讨一种名为栀子果（FG）的天然药物的作用和抗焦虑机制：探讨一种名为栀子果（FG）的天然药物的作用和抗焦虑机制：方法：采用高架-加迷宫（EPM）试验来证实栀子果实的抗焦虑作用。采用网络药理学方法，结合代谢组学和分子对接技术，研究了栀子果实的潜在抗焦虑成分、靶点和途径过程：结果：根据EPM数据，FG可大大提高张开手臂的时间和次数比例。在代谢组学方面，共发现了 61 种不同的代谢物，主要涉及甘氨酸、丝氨酸和苏氨酸代谢，以及丙氨酸、天门冬氨酸和谷氨酸代谢。根据网络药理学和分子对接的研究结果，FG 的主要活性成分烟碱、茉莉二醇和西番莲素与单胺氧化酶 A (MAOA)、单胺氧化酶 A (ACHE)、苹果酸脱氢酶 2 (MDH2)、谷氨酸脱羧酶 2 (GAD2)、谷氨酸脱羧酶 1 (GAD1) 和一氧化氮合酶 (NOS1) 有很强的结合亲和力：FG 通过靶向 MAOA、ACHE、MDH2、GAD2、GAD1 和 NOS1，调节甘氨酸、丝氨酸、苏氨酸以及丙氨酸、天冬氨酸和谷氨酸的代谢，发挥抗焦虑作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Pharmacy and Pharmacology 医学-药学

CiteScore

6.60

自引率

0.00%

发文量

审稿时长

3 months

期刊介绍： JPP keeps pace with new research on how drug action may be optimized by new technologies, and attention is given to understanding and improving drug interactions in the body. At the same time, the journal maintains its established and well-respected core strengths in areas such as pharmaceutics and drug delivery, experimental and clinical pharmacology, biopharmaceutics and drug disposition, and drugs from natural sources. JPP publishes at least one special issue on a topical theme each year.