RUAN Yidan, HUANG Zhihong, CHEN Meilin, et al. Research on Mechanism of Biyuan Tongqiao Granules in the Treatment of Rhinitis Based on Network Pharmacology and Molecular Docking[J]. 2021,21(8):897-904.
RUAN Yidan, HUANG Zhihong, CHEN Meilin, et al. Research on Mechanism of Biyuan Tongqiao Granules in the Treatment of Rhinitis Based on Network Pharmacology and Molecular Docking[J]. 2021,21(8):897-904. DOI: 10.14009/j.issn.1672-2124.2021.08.001.
基于网络药理学和分子对接技术探讨鼻渊通窍颗粒治疗鼻炎的作用机制
摘要
目的:通过网络药理学及分子对接技术
探讨鼻渊通窍颗粒治疗鼻炎的分子作用机制。方法:应用中药系统药理学数据库与分析平台(traditional Chinese medicine systems pharmacology database and analysis platform
TCMSP)、中药综合数据库(traditional Chinese medicines integrated database
OBJECTIVE: To probe into the molecular mechanism of Biyuan Tongqiao granule in the treatment of rhinitis based on network pharmacology and molecular docking. METHODS: To collect the active components and effect targets through Traditional Chinese Medicine Systems Pharmacology Database And Analysis Platform( TCMSP)
Traditional Chinese Medicines Integrated Database( TCMID) and related literature. The disease genes related to rhinitis were retrieved by OMIM
GeneCards
Dis GeNET
GenCLiP and TTD disease database. The “drug-compoundtarget”network
rhinitis related PPI network
“compound-target ” network of Biyuan Tongqiao granules in the treatment of rhinitis
PPI network of Biyuan Tongqiao granule in the treatment of rhinitis and “key compound-core target-pathway” network were constructed by Cytoscape
the Go function and KEGG pathway enrichment were conducted by adopting R software. The Autodock_vina software was used to conduct molecular docking on the screened key compounds and core targets. RESULTS: There were 297 active components in Biyuan Tongqiao granules and113 potential targets for treating rhinitis; the key components mainly including quercetin
luteolin
kaempferol
wogonin
etc; the core targets mainly including STAT3
TNF
JUN
MAPK1
IL-6
PTGS2
etc; involving multiple pathways including AGE-RAGE
IL-17
TNF
Toll-like receptor
etc; key components had strong binding activity with the core target. CONCLUSIONS: These findings have preliminarily verified the multi-component
multi-target and multi-channel mechanism of Biyuan Tongqiao granule
which laid a foundation for further study on its pharmacological mechanism and clinical application.