摘要
目的筛选银杏叶提取物中治疗痛风的活性化合物,构建活性化合物-靶标-通路网络,并阐述银杏叶提取物治疗痛风的潜在作用机制。方法建立银杏叶成分-靶点相互作用的随机森林预测模型,对银杏叶化学成分进行靶点预测,然后构建和分析银杏叶"成分-靶点-痛风"复杂网络。结果在已发现的银杏叶的158个化合物中,以类药性(DL)≥0.18和口服生物利用度(OB)≥30为条件,筛选出39个活性化合物,其中包括11个黄酮类化合物和11个萜类化合物;银杏叶中有24个活性化合物所对应的靶点与痛风中49个致病基因相关,揭示了银杏叶中活性成分与相关靶点的分子作用机制。结论银杏叶中的活性化合物可能通过3种方式治疗痛风:减少尿酸的产生、增加尿酸的排泄、抑制NALP3炎症引起的紊乱。
Objective To screen the active compounds of Ginkgo Folium extrat （GFE） used in the treatment of gout to build network of compounds-target-pathway, and to elaborate the potential mechanism of GFE in the treatment of gout. Methods The G biloba compound-target interaction model was established by random forest algorithm, which was then applied to predict the potential targets interacted with compounds of G biloba. The complicated compound-target-disease network of G biloba was then constructed and analyzed. Results Among the 158 compounds found in G biloba, with （drug-likeness） DL ≥ 0.18 and （oral bioavailabitity） OB ≥ 30 as a filter condition, 39 active compounds were screened, including 11 flavonoids and 11 terpenes. There are 24 active compounds in G biloba, which correspond to the 49 pathogenic genegenes of gout and reveal the molecular mechanism of G biloba in the active ingredient and related targets. Conclusion Active compounds in G biloba may cure gout through the following three ways： First, to minimize the production of uric acid; Secondly, to increase the excretion of uric acid; Thirdly, to inhibit disorders induced by NALP3 inflammation.
出处
《中草药》
CAS
CSCD
北大核心
2016年第15期2693-2700,共8页
Chinese Traditional and Herbal Drugs
基金
大连市科技计划项目(2014E12SF065)
关键词
银杏
痛风
作用机制
网络药理学
靶点
尿酸
Ginkgo biloba L.
gout
mechanism
network pharmacology
target
uric acid
