摘要
目的探讨“白术-茯苓”药对的功效物质基础和配伍机制。方法从中药系统药理学数据库与分析平台(TCMSP)中寻找与白术和茯苓相关的所有化学成分,以口服生物利用度(OB)≥30%,类药性(DL)≥0.18为筛选条件获得候选化合物分子,利用TCMSP及Pubchem数据库获得候选化合物分子的潜在靶点,在此基础上,采用Cytoscape 3.3.0软件构建药物化合物分子-靶点相互作用网络图和靶点-疾病相互作用网络图。结果通过条件筛选获得22个候选化合物分子,相应靶点61个,相关疾病135种。其中度值前三的候选化合物分子分别是M0296(24)、M0049(16)、M0289(9)、M0300(9);度值前三的靶点蛋白分别是PTGS2(32)、ADRB2(13)、TNF(12);度值较高的疾病系统分别是肿瘤(29种)、心血管系统疾病(22种)和神经系统疾病(17种)。结论本研究结果初步验证了“白术-茯苓”药对的基本药理学作用和分子作用机制,为进一步深入研究奠定了良好的基础。
Objective To explore the material basis and compatibility mechanism of "Atractylodes macrocephala Koidz-Poria cocos" herbal pair. Methods All the chemical constituents related to Atractylodes macrocephala Koidz and Poria cocos were identified from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). With oral bioavailability (OB)≥30% and pharmacokinetic (DL)≥0.18 as screening conditions, candidate compounds molecules were obtained. Potential targets of candidate compounds molecules were obtained from TCMSP and Pubchem databases. On this basis, drug compounds molecules-target interaction network and target-disease interaction network were constructed using Cytoscape 3.3.0 software. Results The 22 candidate compounds molecules, 61 corresponding targets and 135 related diseases were obtained through conditional screening, the top three candidate compounds molecules were M0296 (24), M0049 (16), M0289 (9) and M0300 (9) respectively;the top three target proteins were PTGS2(32), ADRB2(13) and TNF (12) respectively. The disease systems with higher degree were tumors (29), cardiovascular diseases (22) and nervous system diseases (17). Conclusion The results of this study preliminarily verifies the basic pharmacological and molecular mechanisms of "Atractylodes macrocephala Koidz-Poria cocos" herbal pair, which lays a good foundation for further research.
作者
张雪竹
白旭光
戴旖旎
任彦周
黄晶晶
王锻
王瑜
贺勇毅
ZHANG Xue-zhu;BAI Xu-guang;DAI Yi-ni;REN Yan-zhou;HUANG Jing-jing;WANG Duan;WANG Yu;HE Yong-yi(the Fourth People's Hospital of Shaanxi,Xi'an 710043,China)
出处
《临床医学研究与实践》
2019年第15期1-3,7,共4页
Clinical Research and Practice
关键词
网络药理学
白术
茯苓
配伍
network pharmacology
Atractylodes macrocephala Koidz
Poria cocos
compatibility
