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目的运用计算机网络药理学技术对调脾护心方所含化学成分的分子作用机制进行分析。方法运用分子对接和复杂网络分析技术研究治疗调脾护心方所含化学成分和靶标之间的相互作用。结果调脾护心方所含化学成分—靶标相互作用网络属于无尺度网络模型,网络的无尺度特性和网络节点的性质可以较好地阐释各化学成分的药理作用。结论该研究结果可为调脾护心方的后续研究提供有用的线索,促进调脾护心方的分子作用机制研究,该研究策略可为中药复方的系统研究提供参考。
Objective To analyze the molecular mechanism of chemical components contained in Tiaopin Huoxin by computer network pharmacology. Methods The molecular docking and complex network analysis techniques were used to study the interaction between the chemical constituents contained in Tiaolian Huoxin and the target. Results The chemical composition-target interaction network contained in Tiaoxiaoxintong belongs to the scale-free network model. The scale-free characteristics of the network and the properties of network nodes can well explain the pharmacological effects of various chemical components. Conclusion The results of this study may provide useful clues for the follow-up study of Tiaoxu Huoxin Recipe and promote the molecular mechanism of Tiaolin Huoxin Recipe. This research method can provide a reference for the systematic study of herbal compound prescription.