基于系统药理学探索女贞子有效成分的药理作用机制

王锻，白旭光，戴旖旎，黄晶晶，张雪竹，王瑜，贺勇毅，马晓莹

（陕西省第四人民医院，陕西 西安，710043）

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摘要：

目的 通过系统药理学方法预测中药女贞子的活性成分和作用靶点及相关疾病。方法 利用系统药理学方法，构建女贞子分子数据库，以口服生物利用度和类药性作为评估标准筛选出女贞子的活性成分，通过预测活性成分的作用靶点构建活性成分―靶点―疾病网络。结果 筛选女贞子活性分子118个，构建了由6个候选化合物分子和30个作用靶点、30个靶点主要作用的16 种疾病关系组成的活性成分―靶点―疾病网络，疾病多涉及心血管疾病、神经系统疾病、肿瘤、精神障碍、免疫系统疾病、呼吸道疾病、血液系统疾病、内分泌系统疾病等。结论 本研究通过采用系统药理学方法对女贞子进行活性成分筛选和靶点预测，构建了活性成分―靶点―疾病网络图，系统地分析阐释了药物、靶点、疾病之间的联系，为进一步深入研究女贞子的作用机制提供了精确的靶点基础。

关键词：女贞子；系统药理学；活性成分预测；活性成分―靶点―疾病网络

中图分类号：R285.5文献标志码：A文章编号：2096-1413(2017)19-0004-03

Exploration of pharmacological mechanism of Ligustri Lucidi Fructus based on systems pharmacology
WANG Duan, BAI Xu-guang, DAI Yi-ni, HUANG Jing-jing, ZHANG Xue-zhu, WANG Yu, HE Yong-yi, MA Xiao-ying
(the Fourth People``s Hospital of Shaanxi, Xi``an 710043, China)

ABSTRACT: Objective To predict the active ingredients, targets and effects of disease of Ligustri Lucidi Fructus based on systematic pharmacology method. Methods Through making use of systematic pharmacology method and building the molecule database of Ligustri Lucidi Fructus, and making oral bioavailability and drug-likeness used as assessment criteria to detect the active ingredients. The targets of active ingredients of Ligustri Lucidi Fructus were predicted and used to construct the Molecule-Target-Disease network. Results One hundred and eighteen active ingredients were screened, with 6 candidate compounds and 30 targets, these targets are associated with 16 kinds of diseases, and a Molecule-Target-Disease network was built. The 16 diseasess are related to cardiovascular disease, nervous system disease, tumor, mental disorders, immune system disease, respiratory diseases, diseases of the blood system, endocrine system disease, etc. Conclusion In thisstudy, the active ingredients and targets of Ligustri Lucidi Fructus were screened and predicted by systems pharmacology, Molecule-Target-Disease network diagram was constructed and the interrelationship among drugs, targets and diseases was systematically analyzed, which provided a precise target basis for further study on the mechanism of the Ligustri Lucidi Fructus.
KEYWORDS: Ligustri Lucidi Fructus; systems pharmacology; ative ingredients prediction; Molecule-Target-Disease network

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