Uncovering the Mechanism of Liuwei Dihuang Decoction(六味地黄汤)for Treating Primary Sjogrens Syndrome Based on Network Pharmacology and Molecular Docking Verification
Objective To investigate the therapeutic mechanism of Liuwei Dihuang Decoction(六味地黄汤,LWDHD)on pri-mary Sjogren's Syndrome(PSS).Methods Public database platform(TCMSP、GeneCards、DrugBank、PHARMGKB、OMIM and TTD)were used to search the active ingredients and action targets of LWDHD,and disease targets of pSS were achieved.We in-tersected the drug ingredient targets and disease targets to obtain the potential targets of LWDHD for the treatment of pSS.The protein interaction network(PPI)of LWDHD for pSS treatment was obtained using STRING 11.5 database,and the core targets were obtained by Cytoscape 3.7.2 software.Differential biological processes and target pathways were screened by GO and KEGG analysis.Molecular docking was performed using Auto Dock 1.5.6 and PyMOL 2.2.0 software to verify the affinity between core target and active ingredient.Result The screening resulted in 74 pharmaceutically active components,184 action targets,1161 pSS disease-related targets,and 69 drug disease intersection targets of LWDHD.Data analysis revealed that main effective component of LWDHD included quercetin,kaempferol,stigmasterol,kaempferone and diosgenin,and the eight core targets of LWDHD in the treatment of pSS included AKT1,CASP3,Jun,MMP9,NFKBIA,TP53,VEGFA.Go analyses mainly involved the biological proces-ses such as lipopolysaccharide,oxidative stress,and reactive oxygen species metabolism.KEGG analyses mainly involved in anti-inflammatory,oxidative stress and other related pathways.The molecular docking results showed that the binding energies of the eight core targets and the corresponding active ingredients were all≤-5 kcal/mol,among which quercetin bound better to all eight core targets,and might be the main effective ingredients of LWDHD in the treatment of pSS.Conclusion LWDHD may treat pSS by acting on core targets AKT1,CASP3,JUN,MMP9,NFKBIA,TP53,VEGFA and IL-1β.It can exert anti-inflammatory,immunoregulatory,antioxidant stress effects through"IL-17 signaling pathway""Th17 cell differentiation""HIF-1 signa-ling pathway"and so on.Quercetin may be the main effective component of LWDHD in the treatment of pSS.
万方数据
维普
