整合网络药理学和分子对接,探索宁神文旦煎剂治疗精神分裂症的机制

IF 1.3 Q3 PSYCHIATRY
Chunhua Qi, Yanhua Yu, Haibing Lv, Xiaojie Ju, Xiaocui Ji, Pengfei Li, Kuanjun He
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引用次数: 0

摘要

目的:精神分裂症(SCZ)是一种普遍存在的慢性精神障碍,其特点是复发率高、致残率高。目前,尚未发现令人满意的药物治疗方法。尽管宁神文旦汤(NSWDD)在改善精神分裂症患者的认知功能方面显示出良好的效果,但其潜在的作用机制仍不清楚:本研究采用网络药理学和分子对接方法,系统研究了文旦含片治疗精神分裂症的机制:结果:对相互作用基因的分析发现,NSWDD和SCZ有307个共同靶点。基因本体和京都基因组百科全书富集分析表明,白细胞介素17信号通路、多种病毒感染、晚期糖基化终产物(AGEs)-AGEs受体(AGEs-RAGE)信号通路、肿瘤坏死因子信号通路和缺氧诱导因子-1(HIF-1)信号通路等多种信号通路是NSWDD影响SCZ治疗的关键通路。这些通路与转录调控、细胞凋亡调控、基因表达调控和外部刺激-反应等多种生物过程有关。分子对接模拟表明,NSWDD的成分与靶蛋白之间通过分子间作用力产生了良好的结合相互作用:该研究初步揭示了NSWDD通过多途径多靶点调控对SCZ产生有益影响的内部分子机制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Integrated Network Pharmacology and Molecular Docking to Explore the Mechanisms of Ningshen Wendan Decoction in the Treatment of Schizophrenia.

Objective: Schizophrenia (SCZ) is a prevalent chronic mental disorder characterized by a high recurrence rate and significant disability. Currently, no satisfactory pharmacological treatments have been identified. Although Ningshen Wendan decoction (NSWDD) has shown promising results in improving cognitive function in patients with schizophrenia, its underlying mechanism of action remains unclear.

Methods: This study systematically investigated the mechanisms of NSWDD in SCZ treatment using network pharmacology and molecular docking approaches.

Results: Analysis of the interaction genes revealed 307 common targets of NSWDD and SCZ. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses indicated the involvement of multiple signaling pathways including interleukin 17 signaling pathway, multiple virus infections, Advanced glycosylation end products (AGEs) - receptor of AGEs (AGEs-RAGE) signaling pathway, tumor necrosis factor signaling pathway, and Hypoxia-inducible factor-1 (HIF-1) signaling pathway as key pathways influenced by NSWDD in treating SCZ. These pathways are associated with various biological processes such as transcriptional regulation, apoptosis regulation, gene expression regulation, and external stimulus-response. Molecular docking simulations indicated favorable binding interactions between components of NSWDD and target proteins via intermolecular forces.

Conclusion: The study provided initial insights into the internal molecular mechanisms underlying the beneficial effect of NSWDD on SCZ through multi-target modulation across multiple pathways.

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