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目的以金银花等16味中药材为研究对象,建立毛细管区带电泳法用于血管紧张素转化酶(angiotensin converting enzyme,ACE)中药抑制剂的快速筛选,并采用分子对接技术对产生抑制活性的有效成分进行预测。方法采用毛细管区带电泳法检测酶孵育产物的质量浓度,通过与空白组比较,确定中药水提液对ACE的抑制活性。采用Autodock软件对酶抑制效果较好的中药提取液主要化学成分进行分子对接,预测产生酶抑制作用的有效成分,并采用文献报道的实测数据与预测结果进行比较,对试验的可行性进行佐证。结果建立的测定ACE活性的毛细管区带电泳法可用于16种中药水提液对ACE抑制剂的筛选。试验结果显示所研究的中药提取液中金银花的活性最强,并且分子对接结果表明,金银花中可能有7种化学成分对ACE有抑制作用,其中4种成分的抑制活性已有文献报道。结论将毛细管区带电泳法结合分子对接技术用于从中药成分中高通量筛选ACE抑制剂是一种有效的途径。
OBJECTIVE To establish a capillary zone electrophoresis method for the rapid screening of traditional Chinese medicine inhibitors of angiotensin converting enzyme (ACE), using 16 Chinese herbal medicines such as honeysuckle as research object, and to use molecular docking technology to produce effective inhibitory activity Ingredients are predicted. Methods The capillary zone electrophoresis method was used to detect the mass concentration of the enzyme incubation product. The inhibitory activity of the aqueous extract of Chinese herbs on ACE was determined by comparison with the blank group. Autodock software was used to do molecular docking on the main chemical components of the Chinese medicine extract with better enzyme inhibition effect and predict the active ingredients with enzyme inhibition effect. The measured data reported in the literature were compared with the prediction results, and the feasibility of the experiment was verified. Results The established capillary zone electrophoresis assay for determination of ACE activity could be used to screen ACE inhibitors for 16 kinds of traditional Chinese medicine aqueous extracts. The results showed that the honeysuckle activity was the strongest in the extract of Chinese traditional medicine studied, and the molecular docking results showed that seven chemical constituents of honeysuckle could inhibit ACE, and the inhibiting activity of four of them was reported in the literature. Conclusion The capillary zone electrophoresis combined with molecular docking technology is an effective way to screen ACE inhibitors with high-throughput from traditional Chinese medicine.