基于网络药理学的民族药古山龙防治糖尿病的作用机制
Therapeutic Effect of Ethnic Medicine Gushanlong on Diabetes based on Network Pharmacology
赵丹 1张淼 2史志龙2
作者信息
- 1. 昭通市第一人民医院药剂科,云南昭通 657000
- 2. 昭通学院农学与生命科学学院,云南昭通 657000
- 折叠
摘要
目的 通过网络药理学及分子对接等方法探讨古山龙防治糖尿病的作用机制.方法 筛选古山龙目标化合物,采用Swiss Target Prediction对所选化合物进行靶点预测筛选,构建"成分-靶点"互作网络,结合Disgenet数据库获取糖尿病的相关基因,建立"成分-靶点-疾病"网络,对古山龙的专属成分与关键蛋白进行分子对接.结果 经筛选得到古山龙15个目标化合物,预测出146 个蛋白靶点,确定了84 个与糖尿病相关靶点,涉及PI3K-Akt、AMPK、Signaling by Interleukins等 169 条相关通路.分子对接结果显示古山龙专属成分与网络拓扑的关键靶点有很好的结合能力.结论 古山龙可能是通过抗氧化,调控细胞凋亡通路,减少胰岛B细胞损伤,促进糖酵解等途径,改善糖尿病及其并发症.
Abstract
Objective This study aims to analyze the pharmacological mechanisms of Gushanlong in the treatment of diabetes using methods such as network pharmacology and molecular docking.Methods Target compounds of Gushanlong were screened,and SwissTargetPrediction was employed to predict and filter potential protein targets.A"compound-target"interaction network was constructed,incorporating relevant genes associated with diabetes retrieved from the Disgenet database to form a"compound-target-disease"network.Molecular docking was performed between exclusive components of Gushanlong and crucial proteins.Results Fifteen target compounds of Gushanlong were selected,predicting 146 protein targets.Eighty-four targets were identified as relevant to diabetes,involving 169 pathways such as PI3K-Akt,AMPK,Signaling by Interleukins,etc.Molecular docking analysis demonstrated that exclusive components of Gushanlong exhibited favorable binding capabilities with key targets in the network topology.Conclusion Gushanlong potentially exerts its effects on diabetes and its complications through antioxidant mechanisms,modulation of the apoptosis pathway,reduction of damage to pancreatic islet B cells,promotion of glycolysis,and other pathways.
关键词
民族药/古山龙/糖尿病/网络药理学Key words
Ethnic Medicine/Gushanlong/Diabetes/Network Pharmacology引用本文复制引用
基金项目
云南省兴滇英才支持计划青年人才专项(XDYC-QNRC-2022-0762)
云南省科技厅地区高校联合青年项目(202101BA070001-244)
出版年
2024
国家科技期刊平台
NSTL
万方数据