基于网络药理学的山药降血糖活性成分筛选及其活性验证  

Screening and Validation of Hypoglycemic Active Ingredients of Yam Based on Network Pharmacology

作　　者：徐元 苟美玲 连尧 王丹 罗晨露 XU Yuan;GOU Meiling;LIAN Yao;WANG Dan;LUO Chenlu(College of Chemistry and Life Science,Chengdu Normal University,Chengdu,Sichuan 611130,China)

机构地区：[1]成都师范学院化学与生命科学学院,四川成都611130

出　　处：《农产品加工》2024年第15期52-55,共4页Farm Products Processing

基　　金：四川省大学生创新创业训练项目(2020143890190);四川省大学生创新创业训练项目(S202314389180)。

摘　　要：运用虚拟筛选和分子对接方法筛选出山药治疗糖尿病的活性成分并进行药效学试验验证,揭示山药药效物质基础。把山药中所含已知的12种化学成分构建为分子库,与根据其功效确定的各作用靶点模型进行虚拟对接,再考查筛选出的多靶点活性成分对四氧嘧啶糖尿病动物模型的影响。结果表明,①对11β-羟基类固醇脱氢酶(11β-HSD1)、环氧合酶(PTGS2)、丝氨酸蛋白酶(PRSS1)有理论活性的成分远多于其他靶点;②部分成分对多个靶点均显示较强的理论活性;③药效学试验结果表明,虚拟筛选所确定的活性成分中薯蓣皂苷元(Diosgenin)、豆甾醇(Stigmasterol)、菜油甾醇(Brassinosteroids)、熊果苷对硝酸四氧嘧啶糖尿病动物模型有明显影响。为阐释食药同源物质药效物质基础提供了新的视角和快捷途径。Virtual screening and molecular docking methods were used to screen out the active ingredients of Chinese yam in the treatment of diabetes,and pharmacodynamic experiments were carried out to reveal the pharmacodynamic substance basis of Chinese yam.The 12 known chemical components in yam were constructed as molecular libraries,and virtual docking was conducted with the target models determined according to their efficacy.Then the effects of the selected multi-target active components on the animal model of alloxouracil diabetes were investigated.The results showed that:①the compounds with theoretical activity against 11β-hydroxysteroid dehydrogenase(11β-HSD1),cyclooxygenase(PTGS2)and serine protease(PRSS1)were much more than other targets;②Some components showed strong theoretical activity against multiple targets;③The results of pharmacodynamic experiments showed that Diosgenin,Stigmasterol,Brassinosteroids and arbutin,among the active ingredients identified by virtual selection,had significant effects on the animal model of alloxouracil nitrate diabetes.This project provided a new perspective and a quick way to explain the pharmacodynamic material basis of food and drug homologous substances.

关 键 词：山药 糖尿病 活性靶点 虚拟筛选 药效学试验 

分 类 号：R587.1[医药卫生—内分泌]