Exploring the Potential Mechanism of Shennao Fuyuan Tang for Ischemic Stroke Based on Network Pharmacology and Molecular Docking.

Jia Min Li ,Guo Hu ,Tian Tian Zhang ,Yan Shang,Xin Li,Zhenni Mu

doi:10.1155/2021/6015702

Abstract

Methods Screen the biologically active components and potential targets of SNFYT through Traditional Chinese Medicine Systems Pharmacology (TCMSP), Traditional Chinese Medicines Integrated Database (TCMID), and related literature. In addition, DrugBank, OMIM, DisGeNET, and the Therapeutic Target Database were searched to explore the therapeutic targets of IS. The cross-targets of SNFYT potential targets and IS treatment targets were taken as candidate gene targets, and GO and KEGG enrichment analyses were performed on the candidate targets. On this basis, the SNFYT-component-target network and protein-protein interaction (PPI) network were constructed using Cytoscape 3.7.2. Finally, AutoDock was used to verify the molecular docking of core components and core targets. Results We screened out 95 potentially active components and 143 candidate targets. SNFYT-component-target network, PPI network, and Cytoscape analysis identified four core active ingredients and 14 core targets. GO enrichment analyzed 2333 biological processes, 79 cell components, and 149 molecular functions. There are 170 KEGG-related signal pathways (P < 0.05), including the IL-17 signal pathway, TNF signal pathway, and HIF-1 signal pathway. The molecular docking results of the core components and the core targets showed good binding power. Conclusions SNFYT may achieve the effect of treating ischemic stroke through its anti-inflammatory effect through a signal pathway with core targets as the core.

Highlights

Ischemic stroke is a kind of disease caused by various causes of local brain tissue blood supply obstruction, which leads to brain tissue ischemia, hypoxia, and necrosis and produces a variety of clinical neurological impairment symptoms
Sitosterol is a common component of SDH/SZY/MDP/CS, Stigmasterol is a common component of SDH/SZY/SY/DG/ CS, ethyl oleate is a common component of SZY/CS, betasitosterol is a common component of SZY/DG/CS, Mairin is a common component of HQ/MDP, kaempferol and Quercetin are common components of HQ/MDP/HJT, paeoniflorin_qt, (+)-catechin, benzoyl, and paeoniflorin are common components of MDP/CS, and ellagic acid is a common component of CS/HJT
A total of 336 targets were obtained through the Traditional Chinese Medicine Systems Pharmacology (TCMSP), Traditional Chinese Medicines Integrated Database (TCMID), and manual retrieval

Summary

Introduction

Ischemic stroke is a kind of disease caused by various causes of local brain tissue blood supply obstruction, which leads to brain tissue ischemia, hypoxia, and necrosis and produces a variety of clinical neurological impairment symptoms. Shennao Fuyuan Tang (SNFYT) is an effective herbal formula for ischemic stroke (IS). It has been in China for more than 20 years, but its effective biologically active components and underlying mechanisms remain to be elucidated. Screen the biologically active components and potential targets of SNFYT through Traditional Chinese Medicine Systems Pharmacology (TCMSP), Traditional Chinese Medicines Integrated Database (TCMID), and related literature. E crosstargets of SNFYTpotential targets and IS treatment targets were taken as candidate gene targets, and GO and KEGG enrichment analyses were performed on the candidate targets On this basis, the SNFYT-component-target network and protein-protein interaction (PPI) network were constructed using Cytoscape 3.7.2. E molecular docking results of the core components and the core targets showed good binding power. SNFYT may achieve the effect of treating ischemic stroke through its anti-inflammatory effect through a signal pathway with core targets as the core

Methods

Results

Conclusion