Analysis of mechanisms of Rhodiola rosea in inhibiting the release of CRH and GC during surgical stress based on network pharmacology and molecular docking
Objective To investigate the active ingredients,related targets,and potential mechanism of Rhodiola rosea in reducing the levels of corticotropin-releasing hormone(CRH)and glucocorticoid(GC)during surgical stress based on network pharmacology and molecular docking.Methods The TCMSP database and STRING database were em-ployed to obtain the active ingredients of Rhodiola Rosea and the associated target genes.NCBI database and OMIM data-base were searched for the target genes of surgical stress,CRH,and GC,respectively.The core target genes of CRH and GC in the process of Rhodiola Rosea reducing surgical stress were obtained after the intersection.GO and KEEG analyses were further conducted based on the core targets.Cytoscape software was used to construct the protein-protein interaction(PPI)network,and the top five core target genes were obtained according to the degree value.The binding energy of core target genes with the active ingredients of Rhodiola rosea was analyzed using molecular docking.Results After the screening,we identified 10 active compounds of Rhodiola rosea and 191 associated target genes.The top three effective ac-tive ingredients with the highest degree values were quercetin,kaempferol,and luteolin.A total of 118 target genes relat-ed to surgical stress,including 44 targets related to CRH,and 502 targets related to GC,were obtained.After intersecting with the drug-associated targets,16 core target genes were obtained.GO analysis showed that 136 core target genes were enriched in biological processes,6 in cellular components,and 15 in the molecular function.KEGG pathway analysis showed that the core target genes were mainly enriched in the advanced glycation end products-receptor of advanced glyca-tion end products(AGE-RAGE)signaling pathway,hypoxia-inducible factor-1(HIF-1)signaling pathway,and human cy-tomegalovirus infection.The PPI network consisted of 16 nodes and 93 edges,and the top five core target genes were pros-taglandin-endoperoxide synthase 2(PTGS2),tumor necrosis factor(TNF),interleukin-6(IL-6),SPP1,and TP53.Quercetin,kaempferol,and luteolin all had strong binding effects with PTGS2,IL-6,SPP1,and TP53(all binding ener-gies≤-5 kcal/mol).Conclusion Rhodiola rosea can reduce the levels of CRH and GC during surgical stress by regulat-ing the expression of PTGS2,IL-6,SPP1,and TP53 through its active ingredients quercetin,kaempferol,and luteolin,and the mechanism may be related to the AGE/RAGE signaling pathway.
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