摘要
目的 通过网络药理学预测黄芪多糖主要活性成分和作用靶点,探讨其多成分-多靶点-多通路的潜在作用机制,同时将筛选结果进行分子对接。方法 通过查阅文献筛选得到黄芪多糖活性化学成分,采用Swisstarget数据库筛选出黄芪多糖活性成分的作用靶点,利用TTD、Drugbank及Disgenet数据库筛选结直肠癌疾病作用相关靶点,明确黄芪多糖治疗结直肠癌的靶点。在STRING数据库的作用下,对靶点进行蛋白互作网络分析,基于Cytoscape建立相关的蛋白互作网络,并采取可视化分析,基于David数据库实现GO分析,展开一系列的KEGG信号通路富集分析,利用AutoDock Tolls软件进行分子对接。结果 利用Swisstarget数据库筛选出黄芪多糖的潜在靶点299个,通过上述基因相关数据库检索到结直肠癌相关的靶点1648个,将活性成分靶点与疾病靶点取交集共获得146个靶点,KEGG通路富集分析发现黄芪多糖治疗结直肠癌的作用机制可能与糖尿病并发症中的AGE-RAGE信号通路、脂质与动脉粥样硬化、癌症通路等157条信号通路存在密切的相关性。通过分子对接表明,黄芪多糖中12个活性成分中葡聚糖与TNF、IL-6有较好的结合活性。结论 黄芪多糖治疗结直肠癌具有多靶点、多通路作用的特点,为进一步研究黄芪多糖治疗结直肠癌作用机制的研究提供了新思路。
Objective The main active components and targets of astragalus polysaccharides(APS) were predicted by network pharmacology to explore the potential mechanism of its multi-component, multi-target and multi-pathway.The screening results were molecular docked at the same time.Methods Through literature review, the active chemical components of APS were screened out, and the active targets of APS were screened out by Swisstarget database.TTD,Drugbank and Disgenet databases were used to screen the relevant targets of colorectal cancer, and the target of APS in the treatment of colorectal cancer was determined.The protein interaction network was analyzed by STRING database, the protein interaction network was constructed by Cytoscape for visual analysis, the GO analysis and KEGG signal pathway enrichment analysis were performed by David database, and the molecular docking was performed by AutoDock Tolls software.Results A total of 299 potential targets of APS were screened by Swisstarget database, and 1648 targets related to colorectal cancer were searched by the above gene-related database.A total of 146 targets were obtained by intersection of active ingredient targets and disease targets.KEGG pathway enrichment analysis found that the mechanism of APS treating colorectal cancer may be related to 157 signaling pathways such as AGE-RAGE signaling pathway, lipid and atherosclerosis, cancer pathway, tumor necrosis factor signaling pathway and colorectal cancer signaling pathway in diabetic complications.Molecular docking showed that dextran among the 12 active components in APS had good binding activity with tumor necrosis factor(TNF) and interleukin-6(IL-6).Conclusion APS has the characteristics of multi-target and multi-pathway in the treatment of colorectal cancer, which provides a new idea for further research on the mechanism of APS in the treatment of colorectal cancer.
作者
陈超
杨永
朱晶
王伟
原艺佳
竺梦情
曾桐春
游蓉丽
李安平
CHEN Chao;YANG Yong;ZHU Jing;WANG Wei;YUAN Yijia;ZHU Mengqing;ZENG Tongchun;YOU Rongli;LI Anping(Shanxi Zhendong Pharmaceutical Co.,Ltd.,Changzhi 047100,Shanxi,China;College of Traditional Chinese Medicine and Food Engineering,Shanxi University of Chinese Medicine,Jinzhong 030619,Shanxi,China;Beijing Hospital of Traditional Chinese Medicine,Capital Medical University,Beijing 100010,China;Hubei Provincial Hospital of Traditional Chinese Medicine,Wuhan 430061,Hubei,China;Beijing Zhendong Guangming Pharmaceutical Research Institute Co,Ltd,Beijing 100120,China)
出处
《辽宁中医杂志》
CAS
2022年第11期24-28,I0001,I0002,共7页
Liaoning Journal of Traditional Chinese Medicine
基金
国家自然科学基金(82074284)
晋中市科技重点研发计划(Y203009)。
关键词
网络药理学
黄芪多糖
结直肠癌
分子对接
network pharmacology
astragalus polysaccharide
colorectal cancer
molecular docking
