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基于网络药理学和分子对接技术探究宁神温胆汤治疗精神分裂症的作用机制

Integrated Network Pharmacology and Molecular Docking to Explore the Mechanisms of Ningshen Wendan Decoction in the Treatment of Schizophrenia.

作者信息

Qi Chunhua, Yu Yanhua, Lv Haibing, Ju Xiaojie, Ji Xiaocui, Li Pengfei, He Kuanjun

机构信息

School of Medical Technology, Baicheng Medical College, Baicheng, China.

College of Life Sciences and food Engineering, Inner Mongolia Minzu University, Tongliao, China.

出版信息

Alpha Psychiatry. 2024 Aug 1;25(4):456-464. doi: 10.5152/alphapsychiatry.2024.241560. eCollection 2024 Aug.

DOI:10.5152/alphapsychiatry.2024.241560
PMID:39360308
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11443296/
Abstract

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.

摘要

目的

精神分裂症（SCZ）是一种常见的慢性精神障碍，其特征为高复发率和严重残疾。目前，尚未确定令人满意的药物治疗方法。尽管宁神温胆汤（NSWDD）在改善精神分裂症患者认知功能方面已显示出有前景的结果，但其潜在作用机制仍不清楚。

方法

本研究使用网络药理学和分子对接方法系统地研究了NSWDD治疗SCZ的机制。

结果

对相互作用基因的分析揭示了NSWDD和SCZ的307个共同靶点。基因本体论和京都基因与基因组百科全书富集分析表明，包括白细胞介素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）信号通路在内的多种信号通路参与其中，这些是NSWDD治疗SCZ时影响的关键通路。这些通路与各种生物学过程相关，如转录调控、细胞凋亡调控、基因表达调控和外部刺激反应。分子对接模拟表明，NSWDD的成分与靶蛋白之间通过分子间力存在良好的结合相互作用。

结论

本研究通过对多个通路的多靶点调节，初步揭示了NSWDD对SCZ有益作用的内在分子机制。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76ee/11443296/eaddfe331db6/ap-25-4-456_S002.jpg
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