Exploring the Therapeutic Mechanism of Pingxin Dingzhi Decoction Through Network Pharmacology and Molecular Docking.

IF 1.3 Q3 PSYCHIATRY
Xiaojie Ju, Chunhua Qi, Yulong Bai, Pengfei Li, Kuanjun He
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Abstract

Objective: Studies have demonstrated that the combination of antipsychotics and Pingxin Dingzhi Decoction (PXDZD) can effectively enhance treatment efficacy for schizophrenia (SCZ), while simultaneously reducing the adverse reactions associated with antipsychotic treatment. However, the exact mechanism by which PXDZD exerts its therapeutic effects is still unknown. The aim of this study is to investigate the action mechanism of PXDZD using network pharmacology and molecular docking techniques.

Methods: The primary components and their protein targets of PXDZD were extracted from TCMSP, SYMMAP, and HERB databases. The targets related to SCZ were acquired from OMIM and DisGeNET databases. The overlapping targets between composite targets and disease targets were used to construct a protein-protein interaction (PPI) network in the STRING database. The identified targets underwent GO and KEGG enrichment analysis, followed by molecular docking studies of the core target proteins and active compounds.

Result: The screening process yielded 285 PXDZD component targets and 1982 disease targets, ultimately leading to the identification of 120 shared targets. The Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis revealed that PXDZD treatment for SCZ engages a diverse range of biological mechanisms, including inflammatory responses and apoptotic processes, while also modulating various signaling pathways such as the PI3K-Akt, mitogen-activated protein kinase (MAPK), and tumor necrosis factor (TNF) signaling pathways. The molecular docking results revealed a strong affinity of Estrogen Receptor 1 (ER1) toward both β-sitosterol and stigmasterol, while kaempferol, β-sitosterol, and stigmasterol demonstrated significant binding potential against TNF-α.

Conclusion: Pingxin Dingzhi Decoction can play a role in treating SCZ through its multi-component, multi-target, and multi-pathway approach.

通过网络药理学和分子对接探索平心定志煎剂的治疗机制
研究目的研究表明,抗精神病药物与平心定志煎剂(PXDZD)联用可有效提高精神分裂症(SCZ)的疗效,同时减少与抗精神病药物治疗相关的不良反应。然而,PXDZD 发挥治疗作用的确切机制仍不清楚。本研究旨在利用网络药理学和分子对接技术研究 PXDZD 的作用机制:方法:从 TCMSP、SYMMAP 和 HERB 数据库中提取 PXDZD 的主要成分及其蛋白靶点。与 SCZ 相关的靶点来自 OMIM 和 DisGeNET 数据库。综合靶点和疾病靶点之间的重叠靶点被用于在 STRING 数据库中构建蛋白质-蛋白质相互作用(PPI)网络。对确定的靶点进行 GO 和 KEGG 富集分析,然后对核心靶蛋白和活性化合物进行分子对接研究:结果:筛选过程中发现了 285 个 PXDZD 成分靶标和 1982 个疾病靶标,最终确定了 120 个共享靶标。基因本体(GO)和京都基因组百科全书(KEGG)分析表明,PXDZD治疗SCZ涉及多种生物机制,包括炎症反应和细胞凋亡过程,同时还调节各种信号通路,如PI3K-Akt、丝裂原活化蛋白激酶(MAPK)和肿瘤坏死因子(TNF)信号通路。分子对接结果显示,雌激素受体1(ER1)与β-谷甾醇和豆甾醇都有很强的亲和力,而山奈酚、β-谷甾醇和豆甾醇则对TNF-α有显著的结合潜力:结论:平芯定志煎膏可通过其多成分、多靶点、多途径的方法在治疗SCZ中发挥作用。
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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