Study on Mechanism of TongMai JiangTang Capsules in Treating Diabe-tes Based on Network Pharmacology and Molecular Docking
OBJECTIVE To explore the material basis and mechanism of TongMai JiangTang Capsule in the treatment of diabetes mellitus by network pharmacology and molecular docking methods.METHODS The active in-gredients and target genes of TongMai JiangTang Capsules were screened through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and the target genes related to diabetes were pre-dicted and screened by GeneCards database.Then,a network diagram of'TCM-component-target'was constructed by Cytoscape.The interaction relationship of target proteins was additionally analyzed by using the STRING database.Finally,molecular docking was performed to investigate the binding modes between the key components and core targets.RESULTS Thirty-eight active components of TongMai JiangTang Capsules were obtained,of which 10 were the key active components,including isorhamnetin,β-sitosterol,helexin,campesterol,etc.The active components and diseases share 147 kinds of common targets.The core proteins in the interaction network are SRC,STAT3,HSP90AA1,PIK3R1,PTPN11,ESR1,AKT1,EGFR,AR,involving multiple pathways and mechanisms.The molecu-lar docking results show that isorhamnetin has the strongest affinity with SRC and ESR1,β-sitosterol has the strongest affinity with STAT3 and PTPN11,helexin has the strongest affinity with HSP90AA1 and EGFR,campesterol has the strongest affinity with PIK3R1 and AR,and stigmasterol has the strongest affinity with AKT1.CONCLUSION The key active components of TongMai JiangTang Capsules can treat diabetes and its complications with multi-component,multi-target and multi-channel forms through SRC,PIK3R1,ESR1,EGFR,AR and other targets,which would provide a theoretical basis for the clinical application of TongMai JiangTang Capsules.
万方数据
维普
