[关键词]
[摘要]
目的 探讨加减香砂六君子汤治疗新型冠状病毒肺炎(COVID-19)恢复期肺脾气虚证的作用机制。方法 利用TCMSP数据库筛选中药活性成分和靶点,利用Gendcars、OMIM数据库筛选疾病靶点,STRING平台对靶点进行PPI网络构建,并进行GO和KEGG分析,利用Cytoscape 3.7.2软件构建“药物-活性成分-靶点-疾病”网络图,然后通过拓扑学参数分析获得加减香砂六君子汤主要活性成分和靶点,最后将主要活性成分与靶点进行分子对接验证。结果 得到槲皮素、木犀草素、山柰酚、柚皮素等115个活性成分,PTGS2、NOS2、PPARG、PTGS1、MAPK14等48个靶点,主要涉及IL-17、TNF、T细胞受体、MAPK、VEGF等155条通路。分子对接显示,槲皮素、木犀草素、山柰酚、柚皮素与3CL水解酶、ACE2、PTGS2具有较好的结合活性,与第七版推荐抗病毒药物结合能相近。结论 加减香砂六君子汤活性成分可通过与3CL水解酶、ACE2、PTGS2结合,调控IL-17、TNF、T细胞受体、MAPK、VEGF等信号通路来抑制炎症反应,调节机体免疫,减轻肺损伤,促进细胞生长分化和肺血管生成,从而改善患者症状,促进恢复期患者康复,提高机体免疫力,降低疾病复发或再感染的风险。
[Key word]
[Abstract]
Objective To explore the mechanism of modified Xiangsha Liujunzi Decoction on COVID-19 with lung and spleen Qi deficiency syndrome in recovery period. Methods This study searched TCMSP database for the active components and targets, searched Gendcars and OMIM databases for disease targets, used STRING and Cytoscape 3.7.2 to build PPI and "drug-ingredienttarget-disease" network diagram, performed GO and KEGG analysis. Main active components and targets were then obtained by calculating topological parameters. Finally, main active components and targets were identified by molecular docking. Result 115 active components including quercetin, luteolin, kaempferol, naringenin, and 48 targets including PTGS2, NOS2, PPARG, PTGS1, MAPK14 were predicted. IL-17, TNF, T cell receptor, MAPK, VEGF signal pathways were involved. Active components have good binding activity with 3CL hydrolase, ACE2, PTGS2. Conclusion Binding with 3CL hydrolase, ACE2, PTGS2, modified Xiangsha Liujunzi Decoction regulate IL-17, TNF, T cell receptor, MAPK, VEGF pathways to inhibit inflammatory response, regulate body immunity, reduce lung injury, promote cell growth and differentiation and pulmonary angiogenesis, improve the symptoms of patients, promote the recovery of patients, improve the body immunity, reduce the risk of disease recurrence or reinfection.
[中图分类号]
R285.5
[基金项目]
国家自然科学基金青年基金(81303073);河南省科技攻关项目(92102310161;182102310291);河南省中医药科学研究专项(20-21ZY1015;20-21ZY2004)