Mechanism of Danggui Sini Decoction(当归四逆汤)for Atherosclerosis Obliterans Based on Network Pharmacology and Molecular Docking

作者：吉晓瑞; 樊凯芳^*; 李晓亮; 张晓丽; 郑学军; 雷彩霞; 晋秋月; 陈阚鹰; 卫田田; 曹雪琼

来源：世界中西医结合杂志(英文), 2022, 8(03): 28-36.

Objective: Based on network pharmacology and molecular docking, we want to explore the pharmacological effects and mechanism of Danggui Sini Decoction in the treatment of lower extremity arteriosclerosis obliterans. Methods: Using TCMSP database to search the main active components of Danggui Sini Decoction(当归四逆汤, DSD) and their related targets, Cytoscape3.8.1 software was used to construct a "component-disease-target" interaction network. Meanwhile, DAVID database was used to enrich the key target genes with GO and KEGG functions. And we used Auto Dock Tools 1.5.6 for molecular docking. Results: A total of 45 candidate active molecules and 250 potential target proteins related to ASO were screened. Key genes such as TNF, IL6, VEGFA, MMP9, IL1B, CCL2, CXCL8, ICAM1, VCAM1, and IL10 are mainly through TNF signaling pathway, HIF-1 signaling pathway, cytokine-cytokine receptor interaction, Toll-like receptor signaling pathway, NF-kappa B signaling pathway, MAPK signaling pathway and other biological pathways exert their effects. The results of molecular docking showed that 5UUI-sesamin, 5UUI-paeoniflorin, 4XCT-sesamin, and 4XCT-sesamin have extremely strong binding ability. Conclusion: Danggui Sini Decoction(当归四逆汤, DSD) can synergistically exert pharmacological effects through multiple components, multiple targets, and multiple pathways. On the basis of regulating immunity and inhibiting smooth muscle proliferation, it can prevent the occurrence and development of ASO.