Mechanisms of Luoshi Neiyi prescription (LSNYP) in endometriosis: a network pharmacology and experimental study.

IF 2.6 3区 生物学
Lizheng Wu, Rui Su, Jinjin Jia, Zijun Kuang, Cheng Zeng, Fangli Pei
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Abstract

Background: Luoshi Neiyi prescription (LSNYP) is a traditional Chinese medicine that has a clinical effect on endometriosis (EMs). This study combined network pharmacology with experimental validation to explore its potential molecular mechanisms.

Methods: The primary components of LSNYP were identified based on the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and a Bioinformatics Analysis Tool for Molecular Mechanism of Traditional Chinese Medicine (BATMAN-TCM). The possible target proteins were predicted using the SwissTargetPrediction online tool. The GeneCards and DisGeNET databases were used to identify targets associated with EMs. The protein-protein interaction (PPI) network, herb-component-target network, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed. Molecular docking, molecular dynamics (MD) simulation and experimental verification were carried out.

Results: 217 potential therapeutic targets were identified. Enrichment analyses revealed involvement in key biological processes and pathways, including cell migration, inflammatory response, focal adhesion, and the VEGF signaling pathway, which are closely related to the adhesion-invasion-angiogenesis progression in EMs pathogenesis. Molecular docking and MD simulation results showed stable binding between corresponding components and typical targets (ICAM1, MMP9 and VEGFA) involved in the progression. Experimental results demonstrated that LSNYP could decrease typical targets of the progression in rats and inhibit the invasion, migration and adhesion capabilities of human endometriotic stromal cells (ESCs).

Conclusion: These findings suggest LSNYP may be a promising candidate for EMs, potentially through inhibiting the adhesion-invasion-angiogenesis progression.

络石内益方治疗子宫内膜异位症的机制:网络药理学及实验研究。
背景:螺石内益方(LSNYP)是一种治疗子宫内膜异位症的中药。本研究将网络药理学与实验验证相结合,探讨其潜在的分子机制。方法:利用中药系统药理学数据库与分析平台(TCMSP)和中药分子机制生物信息学分析工具(BATMAN-TCM)对LSNYP的主要成分进行鉴定。使用SwissTargetPrediction在线工具预测可能的靶蛋白。使用GeneCards和DisGeNET数据库识别与EMs相关的靶标。进行了蛋白-蛋白相互作用(PPI)网络、草药-成分-靶点网络、基因本体(GO)和京都基因与基因组百科全书(KEGG)途径富集分析。进行了分子对接、分子动力学模拟和实验验证。结果:鉴定出217个潜在的治疗靶点。富集分析显示其参与了关键的生物学过程和途径,包括细胞迁移、炎症反应、局灶性粘附和VEGF信号通路,这些过程和途径与em发病过程中的粘附-侵袭-血管生成过程密切相关。分子对接和MD模拟结果显示,参与该过程的相应组分与典型靶点(ICAM1、MMP9和VEGFA)之间存在稳定的结合。实验结果表明,LSNYP可以降低大鼠的典型进展靶点,抑制人子宫内膜异位症基质细胞(ESCs)的侵袭、迁移和粘附能力。结论:这些发现表明LSNYP可能是EMs的一个有希望的候选者,可能通过抑制粘连-侵袭-血管生成的进展。
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
Hereditas
Hereditas Biochemistry, Genetics and Molecular Biology-Genetics
CiteScore
3.80
自引率
3.70%
发文量
0
期刊介绍: For almost a century, Hereditas has published original cutting-edge research and reviews. As the Official journal of the Mendelian Society of Lund, the journal welcomes research from across all areas of genetics and genomics. Topics of interest include human and medical genetics, animal and plant genetics, microbial genetics, agriculture and bioinformatics.
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