基于网络药理学和分子对接技术分析高良姜治疗慢性萎缩性胃炎的作用机制

Mechanism of Lesser Galangal Rhizome in the Treatment of Chronic Atrophic Gastritis Based on Network Pharmacology and Molecular Docking Technology

目的运用网络药理学和分子对接技术分析高良姜治疗慢性胃炎的作用机制。方法通过中药系统药理学数据库(TCMSP)获取高良姜的活性成分,筛选出高良姜作用靶点,构建中药调控网络。通过收集数据库中的慢性萎缩性胃炎相关基因,进行基因合并绘制VENN图。将得到的药物相关靶点与疾病相关靶点进行映射筛选得到相关交集靶点,并构建PPI网络,对其进行GO和KEGG富集分析。最后利用Vina软件进行分子对接实验验证进行可视化分析。结果通过网络药理学和分子对接技术获得高良姜活性成分13个,与慢性萎缩性胃炎的交集靶点85个,构建蛋白互作网络得出核心基因包括FOS、MYC、MAPK1等,核心药物成分主要包括槲皮素等。GO分析得出生物功能主要涉及对镉离子的反应等,KEGG分析得出高良姜治疗慢性萎缩性胃炎主要涉及到IL-17信号通路,TNF信号通路、Toll样受体信号通路等,以此调控胃黏膜细胞增殖与凋亡。进而发挥着治疗慢性萎缩性胃炎的效果,提高药物的治疗效果,降低毒副作用,为深入高良姜治疗慢性萎缩性胃炎的作用机制研究提供新思路。结论高良姜通过多成分、多靶点、多通路治疗慢性萎缩性胃炎,但仍需进一步实验或临床验证。

Objective To analyze the mechanism of lesser galangal rhizome in the treatment of chronic gastritis by network pharmacology and molecular docking technology.Methods The active components of lesser galangal rhizome were obtained through the Traditional Chinese Medicine Systems Pharmacology Database(TCMSP),and the target of lesser galangal rhizome was screened out to construct the regulation network of traditional Chinese medicine.By collecting the genes related to chronic atrophic gastritis in the database,the VENN map was drawn by gene merging.The obtained drug-related targets and disease-related targets were mapped and screened to obtain relevant intersection targets,and a PPI network was constructed to perform GO and KEGG enrichment analysis.Finally,Vina software was used to verify the molecular docking experiment for visual analysis.Results Through network pharmacology and molecular docking technology,13 active components of lesser galangal rhizome were obtained,and 85 targets were intersected with chronic atrophic gastritis.The protein interaction network was constructed to obtain the core genes including FOS,MYC,MAPK1,etc.,and the core drug components mainly include quercetin.GO analysis showed that biological functions mainly involved the response to cadmium ions.KEGG analysis showed that the pathway of lesser galangal rhizome in treatment of chronic atrophic gastritis mainly involved IL-17 signaling pathway,TNF signaling pathway,Toll-like receptor signaling pathway,etc.,in order to regulate the proliferation and apoptosis of gastric mucosal cells.In turn,it played a role in the treatment of chronic atrophic gastritis,improved the therapeutic effect of drugs,reduced toxic and side effects,and provided new ideas for further research on the mechanism of lesser galangal rhizome in the treatment of chronic atrophic gastritis.Conclusion Lesser galangal rhizome through multi-component,multi-target and multi-pathway in treatment of chronic atrophic gastritis,but further experimental or clinical verification is still needed.