A Study on the Mechanism of Action of Chai Hu-Paeoniae for Postoperative Pain based on Network Pharmacology and Molecular Docking Strategies
To investigate the active ingredients,key targets and potential molecular mechanisms of Chai Hu and Paeonia lactiflora in the treatment of postoperative pain(PP)based on network pharmacology combined with molecular docking.The active ingredients and corre-sponding targets of Chai Hu and Paeonia lactiflora were retrieved from databases,and the targets related to postoperative pain(Postoperative pain syndrome(PPS)and neuropathic pain(NP)were used as targets in this paper were collected.The active components,component-dis-ease intersection targets and possible signaling pathways of Chai Hu-Paeoniae for postoperative pain were analyzed by network pharmacol-ogy.The binding ability of the active ingredient to the target protein was predicted by molecular docking.After a series of analyses,a total of 18 components meeting the screening criteria were screened to identify 5 bioactive components dousterol,kaempferol,beta-sitosterol,Areapilin,isorhamnetin and 36 targets for the action of Chai hu-Paeoniae in the treatment of postoperative pain,among which MAPK8,HMOX1,RELA,NOS2 JUN,PTGS2,PPARG,TNF,and IL-6 were the key targets of Chai hu-Paeoniae for postoperative pain.Gene On-tology(GO)and Kyoto Genome Encyclopedia(KEGG)analysis showed that TNF signaling pathway,IL-17 signaling pathway and C-type lectin receptor signaling pathway may play an important role in the treatment of postoperative pain with Chai Hu-Shao Yao.The results of molecular docking indicated that both bioactive components could bind well,among which sitosterol had the largest negative binding energy float with TNF and the most stable binding,which might be the most effective active component of Chai Hu-Paeoniae for postoperative pain relief.The present study predicts and validates the pharmacological and molecular mechanisms of Chai Hu-Paeoniae for the treatment of PP from the perspective of component-target-disease,and provides a reference for subsequent studies.
万方数据
维普
