摘要
药食同源中药以其广泛的生物活性和安全的可食性越来越受到人们的关注。如何快速筛选并明确其活性成分一直是科学研究的热点。以15种药食同源中药为对象,应用网络药理学的方法,在前期工作中确定的中药雌激素相关靶标的基础上,通过构建化学成分数据库,预测生物口服利用度,计算类药性,构建分子对接及化合物-靶标网络,筛选具有潜在抗骨质疏松活性的中药,明确其具有雌激素样作用的活性成分。结果表明,15种药食同源中药的1 502个化学成分中,共有12种药食同源中药的361个化学成分(24%)为活性成分。其中,336个活性成分可与11个中药雌激素样作用靶标相互作用。化合物-靶标网络进一步展现了这12种药食同源中药防治骨质疏松的潜在活性。其中,黑芝麻和枸杞的潜在活性成分与靶标作用最密切,青果、山楂、甘草、莲子活性成分与靶标高度连接,表明这些活性化合物在骨质疏松防治功能方面发挥了重要作用。本研究可为药食同源中药抗骨质疏松保健功能的认识及开发提供新方法和理论依据。
The edible traditional Chinese medicine is becoming more and more high-profile owing to its extensive biological activity and credible edibility. However, it has been a hotspot of research that how to prescreen and identify active ingredients among the complicated traditional Chinese medicine systems. In this study, 15 edible traditional Chinese medicine were taken as study objects, basing on certain targets of estrogen-like action of traditional Chinese medicine in our previous work, and network pharmacology was established to investigate the anti-osteoporosis activity of15 medicine and screen active ingredients which have estrogen-like effect by integrating database construction, oral bioavailability screening, drug-likeness calculation, molecular docking analysis and compound-target network construction.The results indicated that total of 361 compounds（24%） of 12 edible traditional Chinese medicine were selected from1 502 compounds of 15 edible traditional Chinese medicine as the active components. Among of them, 336 active components are associated with 11 targets of estrogen-like action of Epimedium by using molecular docking. The compoundtarget network further displayed 12 edible traditional Chinese medicine have potential anti-osteoporosis activity. And some potential active components of Semen Sesami Nigrum and Lycium Chinense Miller were most closely related with associative targets, active ingredients of Fructus Canarii, Crataegus Pinnatifida Bge, Glycyrrhiza Uralensis Fisch. and Semen Nelumbinis had a high degree of attachment with related targets, explicating these potential active components play a major role in anti-osteoporosis. This study provided a novel method and theoretical basis for exploring hygienical function of anti-osteoporosis of edible traditional Chinese medicine.
出处
《中国食品学报》
EI
CAS
CSCD
北大核心
2017年第12期182-192,共11页
Journal of Chinese Institute Of Food Science and Technology
基金
大连市高层次人才项目(2016RQ064)
辽宁省教育厅基本科研项目(2016J008)
国家自然科学基金-联合基金项目(U160320031)
关键词
药食同源中药
骨质疏松
网络药理学
黑芝麻
枸杞
edible traditional Chinese medicine
osteoporosis
network pharmacology
Semen Sesami Nigrum
Lycium Chinense Miller
