摘要
目的 利用网络药理学及分子对接技术分析抵当芪桂汤治疗糖尿病周围神经病变的作用机制.方法 通过TCMSP、HERB数据库筛选出抵当芪桂汤的有效成分;使用UniProt数据库下载相关基因靶点.通过GeneCards、OMIM、TTD、PharmGKB、DrugBank数据库筛选出糖尿病周围神经病变的基因靶点;取抵当芪桂汤药物成分与糖尿病周围神经病变的交集靶点,根据交集靶点进行基因本体(GO)功能及京都基因与基因组百科全书(KEGG)代谢通路分析;通过分子对接实验进行验证.结果 筛选得到抵当芪桂汤有效化合物 123 个,药物与疾病的交集靶点 214 个,通过网络图分析得到抵当芪桂汤治疗糖尿病周围神经病变有效药物成分为槲皮素(quercetin)、熊果酸(ursolic acid)、D-甘露醇(D-mannitol)、山柰酚(kaempferol)等,有效基因靶点为SRC、STAT3、MAPK3、PIK3CA、MAPK1 和AKT1 等,主要涉及通路为PI3K-AKT信号通路、脂质和动脉粥样硬化、MAPK信号通路、AGE-RAGE 信号通路在糖尿病并发症、内分泌抵抗、HIF-1 信号通路等;分子对接结果表明:槲皮素(quercetin),熊果酸(ursolic acid),D-甘露醇(D-mannitol),山柰酚(kaempferol)等成分与靶点SRC、STAT3、MAPK3、PIK3CA、MAPK1 和AKT1 等结合作用较强.结论 抵当芪桂汤通过多靶点、多通路发挥治疗糖尿病周围神经病变的作用,为中药临床有效治疗糖尿病周围神经病变提供客观依据.
Abstract
Objective Using network pharmacdogy and molecular docking technology to analyze the mecha-nism of Didang Qigui Deoction in the treatment of diabetic peripheral neuropathy.Methods The effective in-gredients of Didang Qigui Deoction were screened by TCMSP and HERB databases;The relevant gene targets were screened using the UniProt database.The gene targets of diabetes peripheral neuropathy were screened through GeneCards,OMIM,TTD,PharmGKB and DrugBank databases.The intersection targets of active com-ponents of Didang Qigui Decoction and diabetes peripheral neuropathy were obtained.The GO function and KEGG metabolic pathway were analyzed and verified through molecular docking experiments.Results A total of 123 active compounds related to Didang Qigui Deoction were screened,with 214 common targets of Didang Qigui Deoction and diabetic peripheral neuropathy.Through network diagram analysis,the effective drug com-ponents of Didang Qigui Decoction in the treatment of diabetes peripheral neuropathy were quercetin,ursolic acid,D-mannitol,kaempferol,etc.The effective gene targets were SRC,STAT3,MAPK3,PIK3CA,MAPK1 and AKT1,mainly involving PI3K-AKT signaling pathway,MAPK signaling pathway,AGE-RAGE signaling path-way in diabetes complications,endocrine resistance,HIF-1 signaling pathway,etc.The molecular docking re-sults indicated that components such as quercetin,ursolic acid,D-mannitol,and kaempferol had strong binding effects with targets such as SRC,STAT3,MAPK3,PIK3CA,MAPK1 and AKT1.Conclusion Didang Qigui Deoction plays a role in the treatment of diabetic peripheral neuropathy through multi-pathway,multi-target,providing an objective basis for effective clinical treatment of diabetic peripheral neuropathy with traditional Chinese medicine.
基金项目
陕西中医药大学伤寒学与经方辨治疑难病一流学科创新团队项目(2019-QN04)
维普
万方数据