中药材中血管紧张素转化酶抑制剂的筛选及其有效成分预测

Screening of angiotensin-converting enzyme inhibitors and their efficacy prediction in traditional Chinese medicine

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 develop a capillany zone electrophoresis-based method for rapid screening of the angiotensin-couerting enzyme inhibitors from 16 kinds of traditional Chinesc medicine （TCM）, and the molecular docking methoel for predicting the efficacy components of angiotensin-coverting enzyme inhibitiory activity. Methods Capillary zone electrophoresis was applied to determine the concentrations of incubation products. The inhibition of the water extraction of TCM was calculated with the blank control. Autodock software was used to predict the inhibition efficacy components, that obtained from the effective extraction of TCM. The mechanism of TCM was, the results of prediction was compared with literature date. Results The established capillary electrophoresis method,was accurate ,rapid and reliable. The inhibiting activity of Lonicera Japanica Thunb. was the best among the 16 kinds of water extraction of TCM. The docking results show that there were 7 chemical constituents from Lonicera Japanica Thunb. that inhibit ACE. And 4 chemical constituents of them were reported in the literature. Conclusions It is an effecitiue way for the high- throughput screening of ACE inhibitors from TCM components by combing capillary zone electrophoresis withmolecular docking.