ZHAO Shuai, ZHOU Zhenghua. Network Pharmacology of Retention Enema with Green and Red Powder in the Treatment of Ulcerative Colitis of Left Colon Type. [J]. 21(12):1425-1433(2021)
DOI:
ZHAO Shuai, ZHOU Zhenghua. Network Pharmacology of Retention Enema with Green and Red Powder in the Treatment of Ulcerative Colitis of Left Colon Type. [J]. 21(12):1425-1433(2021) DOI: 10.14009/j.issn.1672-2124.2021.12.002.
Network Pharmacology of Retention Enema with Green and Red Powder in the Treatment of Ulcerative Colitis of Left Colon Type
摘要
目的:运用网络药理学方法及分子对接技术
探讨青赤散保留灌肠治疗左半结肠型溃疡性结肠炎(ulcerative colitis
UC)的作用机制。方法:利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)、Pub Chem、STITCH数据库及文献
检索、筛选青赤散的活性成分并预测作用靶点
与Gene Cards、Drugbank和人类孟德尔遗传综合数据库(online mendelian inheritance in man
OBJECTIVE: To explore the mechanism of retention enema with green and red powder in the treatment of ulcerative colitis( UC) of left colon type by network pharmacology and molecular docking techniques. METHODS:Traditional Chinese medicine systems pharmacology database and analysis platform( TCMSP)
Pub Chem
STITCH database and literature search were used to screen the active components of retention enema with green and red powder and predict the action target. And the intersection was obtained with UC targets obtained from Gene Cards
Drugbank and online mendelian inheritance in man( OMIM) database. Cytoscape 3. 7. 2 software was used to construct the “drugcomponent-target”network and screen the main active components. String 11. 0 platform was used to output the proteinprotein interaction( PPI) network and screen the core targets. Gene ontology( GO) functional enrichment analysis and Kyoto encyclopedia of genes and genomes( KEGG) pathway enrichment analysis were performed on the core targets by using Metascape genomes database. The active components
core targets and key pathways were correlated with each other
and the network diagram was drawn by using Cytoscape 3. 7. 2 software. Schr9 dinger software was used to complete the molecular docking. RESULTS: Sixty-nine kinds of active components were obtained
including 10 main active components
including quercetin
kaempferol
luteolin
β-sitosterol
formononetin
stigmasterol
indiyured and carbendine. There were 206 targets
including 142 targets related to UC and 27 core targets with AKT1
TP53
IL-6
MAPK3 and TNF
mainly acting on MAPK
IL-17
PI3K/Akt
TNF
Toll-like receptor
apoptosis and EBV infection and other signaling pathways
which could play the functions of intercepting the inflammatory response
maintaining the mucosal barrier
improving the intestinal blood supply
balancing the autoimmunity
adjusting the intestinal flora and antiviral infection. And the molecular docking results showed that the main active components bound well to the core target proteins. CONCLUSIONS: Retention enema with green and red powder in the treatment of UC through multiple components
multiple targets and multiple pathways
which provides an objective basis for further basic and clinical research and explores new ideas for the development of external medication of UC.
关键词
网络药理学青赤散溃疡性结肠炎
Keywords
Network pharmacologyRetention enema with green and red powderUlcerative colitis
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Related Author
ZHANG Ning
GUO Yali
LIU Jian
PENG Yanru
WANG Yuguang
SHANG Jinfeng
LI Qiannan
CUI Yiran
Related Institution
Dept. of Respiratory, Beijing Hospital of Traditional Chinese Medicine, Capital Medical University
School of Chinese Materia Medica, Beijing University of Chinese Medicine
Dept.of Pharmacy, Beijing Hospital of Traditional Chinese Medicine, Capital Medical University
College of the 1st Clinical Medical Sciences, Henan University of Chinese Medicine
Dept.of Gynaecology and Obstetrics, the First Affiliated Hospital of Henan University of Chinese Medicine