中药抗凝血作用的网络药理学

目的:运用计算机网络药理学技术对抗凝血中药所含化学成分的分子作用机制进行预测。方法:从数据库中收集抗凝血中药小分子、靶标数据;使用计算机虚拟筛选软件进行分子-靶标的相互作用研究;利用网络构建软件建立中药-分子-靶标之间的网络,并分析其意义。结果:筛选出一批抗凝血中药活性分子,并对其作用机制进行了初步探讨。结论:计算结果预示抗凝血中药的作用机制可能包括抗凝血、抗血栓和抑制血小板3个方面;部分抗凝血中药分子同时作用多个靶标,调节多种抗凝血效果;抗凝血中药分子不仅对单个靶标因子表现出强的活性,而且可以同时调节多个靶标,药物分子间相互调节、相互补充,共同发挥活血化瘀的功效。

Anticoagulant Effects of Traditional Chinese Medicine by Network Pharmacology

Objective: The study aimed to predict the mechanism of effective components in anticoagulant herbs in molecular level through network pharmacology technology. Method: Virtual screening and network pharmacology were applied to study the interaction between natural molecules and the targets. Result: Herbs for promoting blood circulation and removing blood stasis had predictive anti-coagulative effects. Several potential effective components were screened out. Conclusion: Computational techniques can improve our understanding of the complex mechanisms of traditional medicine, and instruct the research in the future.