OBJECTIVE:To investigate the mechanism of action of Qinlian Jiangxia decoction(芩连姜夏汤,QLJXD)in the treatment of type 2 diabetes mellitus(T2DM)complicated by hyperlipidemia using network pharmacology,molecular dock...OBJECTIVE:To investigate the mechanism of action of Qinlian Jiangxia decoction(芩连姜夏汤,QLJXD)in the treatment of type 2 diabetes mellitus(T2DM)complicated by hyperlipidemia using network pharmacology,molecular docking,molecular dynamics simulation and in vivo experiments.METHODS:Drug components,targets and disease targets were identified using databases such as TCM systems pharmacology database and analysis platform and Gene Cards.The intersecting targets were subjected to protein-protein interaction analysis using the search tool for the retrieval of interacting genes/proteins database.Subsequently,Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analysis of the intersecting targets were conducted using the Metascape platform to identify core components and targets.The results were validated using molecular docking,molecular dynamics simulations and in vivo experiments.RESULTS:QLJXD contains 76 active ingredients and 136 disease targets.The core ingredients are quercetin,β-sitosterol,wogonin and baicalein,while the core targets are fatty acid binding protein 4(FABP4)and peroxisome proliferative activated receptor gamma(PPARG).Molecular docking and molecular dynamics simulations revealed that the core ingredients bound well to the core targets.Animal experiments demonstrated that QLJXD effectively inhibited the expression of FABP4 and increased the expression of PPARG,thereby enhancing disorders of glycolipid metabolism.CONCLUSION:The putative therapeutic efficacy of QLJXD in the management of T2DM complicated with hyperlipidemia may be ascribed to the synergistic actions of multiple components,such as quercetin,β-sitosterol,wogonin,and baicalein,which collectively modulate FABP4 and PPARG molecular targets.展开更多
文摘OBJECTIVE:To investigate the mechanism of action of Qinlian Jiangxia decoction(芩连姜夏汤,QLJXD)in the treatment of type 2 diabetes mellitus(T2DM)complicated by hyperlipidemia using network pharmacology,molecular docking,molecular dynamics simulation and in vivo experiments.METHODS:Drug components,targets and disease targets were identified using databases such as TCM systems pharmacology database and analysis platform and Gene Cards.The intersecting targets were subjected to protein-protein interaction analysis using the search tool for the retrieval of interacting genes/proteins database.Subsequently,Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analysis of the intersecting targets were conducted using the Metascape platform to identify core components and targets.The results were validated using molecular docking,molecular dynamics simulations and in vivo experiments.RESULTS:QLJXD contains 76 active ingredients and 136 disease targets.The core ingredients are quercetin,β-sitosterol,wogonin and baicalein,while the core targets are fatty acid binding protein 4(FABP4)and peroxisome proliferative activated receptor gamma(PPARG).Molecular docking and molecular dynamics simulations revealed that the core ingredients bound well to the core targets.Animal experiments demonstrated that QLJXD effectively inhibited the expression of FABP4 and increased the expression of PPARG,thereby enhancing disorders of glycolipid metabolism.CONCLUSION:The putative therapeutic efficacy of QLJXD in the management of T2DM complicated with hyperlipidemia may be ascribed to the synergistic actions of multiple components,such as quercetin,β-sitosterol,wogonin,and baicalein,which collectively modulate FABP4 and PPARG molecular targets.
