Molecular mechanism of rhubarb in treatment of acute pancreatitis based on network pharmacology and molecular docking
- Author:
Xiao-Xia CHEN
1
;
Cai-Xing XIE
1
;
Yi-Feng LIANG
1
;
Bai-Jun QIN
1
;
Xin YANG
1
;
Ri-Hui ZHENG
1
;
Cai-Xing XIE
2
;
Yi-Feng LIANG
2
;
Guo-Zhong CHEN
2
Author Information
- Publication Type:Journal Article
- Keywords: acute pancreatitis; mechanism of ac-tion; molecular docking; network pharmacology; rhubarb; signaling pathway
- From: Chinese Pharmacological Bulletin 2022;38(8):1239-1245
- CountryChina
- Language:Chinese
- Abstract: Aim To analyze the molecular mechanism of rhubarb in the treatment of aeute pancreatitis ( AP) by network pharmacology and molecular docking.Methods TCMSP,TCMID and Swiss target predic¬tion databases were used to screen the active compo¬nents and targets of rhubarb,and genecards and OMIM databases were used to screen the targets of AP.Then the active ingredient drug target network of rhubarb and theactive ingredient disease target network of rhubarb for AP were constructed by using Cytoscape software.PPI network was constructed in string database, and go and KEGG enrichment analysis was performed in metascape database and R language.Finally,molecular docking was used to verify the possibility of binding the core active components to the core target.Results A total of 192 active components and 1 882 AP targets were obtained.The first three active components of rhubarb in the treatment of AP were beta sitosterol, aloe emodin and eupatin.The core target of rhubarb in the treatment of AP was hsp90aal.Go enrichment analysis focused on reaction to toxic substances, while KEGG enrichment analysis was significantly enriched in p53 signaling pathway closely related to AP.Molecular docking showed good binding and stable conformation.Conclusions Rhubarb can affect the expression of AP related genes and proteins through p53 signaling pathway, thereby inhibiting cell apoptosis and allevia¬ting the inflammatory injury of AP.
