基于网络药理学技术探究冠心七味片治疗冠心病的作用机制

目的 阐明冠心七味片的药效物质,探索其药效成分的潜在靶点.方法 采用融合了口服可利用度预测、类药性评估、主成分分析、分子对接模拟,以及药效分子-靶点-疾病网络分析等方法为一体的网络药理学模型,研究冠心七味片所含中药组分和靶点间的相互作用.结果 冠心七味片的18个主要药效分子与治疗冠心病的41个靶点其有高网络度,且与分子对接计算得出的18个潜在靶点具有较强的结合能.筛选出的7个冠心七味片关键靶点与冠心病的治疗密切相关.结论 筛选出冠心七味片中18个可能的药效分子和7个关键作用靶点,初步阐明了冠心七味片多成分、多靶点、协同作用的分子机制.

Network pharmacological studies of Guanxin Qiwei tablet in treating coronary heart disease

Objective To clarify the active ingredients of Guanxin Qiwei tablet, and to explore the potential target for its efficacy. Methods We studied the interaction between Chinese medicine ingredients in the Guanxin Qiwei tablet and the therapy targets using a network pharmacology model, which was developed by integrating oral bioavailability prediction, druggability analysis, principal component analysis, molecular docking simulation and network of pharmacophore-target-disease analysis. Results Eighteen principal compounds had high-degree network with 41 therapy targets for coronary heart disease (CHD), and had higher affinity with 18 potential targets via the calculation of molecular docking. Further analysis showed that 7 key targets were closely related to the treatment of CHD. Conclusion We have screened 18 possible active molecules in Guanxin Qiwei tablet and 7 key therapy targets, and preliminarily elucidate the molecular mechanism based on the "multi-ingredient, multi-target, and synergistic effect".