摘要
目的基于网络药理学与分子对接探讨鸡血藤-桑寄生治疗糖尿病周围神经病变(DPN)的分子机制。方法从中药系统药理学数据库、中药综合数据库数据库及中国知网、万方搜集2017年2月至2020年12月的文献中获取药物活性成分及靶点;通过GeneCards、TTD、OMIM及DRUGBANK数据库中寻找DPN靶点;通过STRING平台进行蛋白质-蛋白质相互作用分析、Metascape平台进行GO及KEGG信号通路分析及Autodockvina联合PyMol进行分子对接。结果鸡血藤、桑寄生分别获得23、2种活性成分,包括槲皮素、木犀草素、芒柄花黄素等;获得EGFR、ESR1、PARP1等64个核心靶点,这些靶点主要富集在MAPK、JAK-STAT、PI3K-Akt等通路上,分子对接验证发现活性成分与其靶点有较好的对接活性。结论鸡血藤-桑寄生通过改善糖脂类代谢、保护神经元、调控细胞凋亡发挥治疗DPN的作用。
Objective To investigate the molecular mechanism of spatholive-mulberry parasitism in the treatment of diabetic peripheral neuropathy(DPN)based on network pharmacology and molecular docking.Methods The active ingredients and targets were obtained from traditional Chinese medicine systems pharmacology,traditional Chinese medicines integrated database,China national knowledge infrastructure and Wanfang collection from February 2017 to December 2020.DPN targets were searched through GeneCards,TTD,OMIM,and DRUGBANK databases;proteinprotein interaction analysis was performed on STRING platform,GO and KEGG signaling pathway analysis was performed on Metascape platform,and molecular docking was performed on Autodockvina combined with Pymol.Results A total of 23 active ingredients were obtained from spatholive-mullberry and two active components were obtained from parasitism,including quercetin,luteolin and formononetin,etc.A total of 64 core targets including EGFR,ESR1,and PARP1 were obtained,and these targets were mainly enriched in MAPK,JAK-STAT,PI3K-Akt and other pathways.Molecular docking verification showed that the active components had good docking activity with their targets.Conclusion Spatholive-mulberry parasitism plays a therapeutic role in DPN by improving glycolipid metabolism,protecting neurons and regulating cell apoptosis.
作者
侯亚威
李亚蒙
徐玉坤
肖振卫
HOU Yawei;LI Yameng;XU Yukun;XIAO Zhenwei(School of Traditional Chinese Medicine,Shandong University of Traditional Chinese Medicine,Shandong Province,Jinan250000,China;Department of Geriatrics,Affiliated Hospital of Shandong University of Traditional Chinese Medicine,Shandong Province,Jinan250000,China;Department of Nephrology,Affiliated Hospital of Shandong University of Traditional Chinese Medicine,Shandong Province,Jinan250000,China)
出处
《中国医药导报》
CAS
2021年第26期24-29,F0004,共7页
China Medical Herald
基金
山东中医药科技发展计划项目(2019-0105)。
关键词
网络药理学
鸡血藤-桑寄生
糖尿病周围神经病变
分子对接
机制
Network pharmacology
Spatholive-mulberry parasitism
Diabetic peripheral neuropathy
Molecular docking
Mechanism
