SARS病毒膜融合抑制剂的鉴定

Identifying inhibitors of the SARS coronavirus membrane fusion

目的:用分子对接技术预测H IV融合抑制剂是否能对SARS起作用。方法:搜寻H IV gp41融合抑制剂,用DOCK软件分析其与SARS蛋白的S2结构域HR1三聚体晶体结构的亲和力。结果:预测了23个小分子,ADS-J1、ADS-J2、XTT Form azan等几个小分子得分较高,提示与S2结构域有亲和力。结论:发现抗H IV的融合抑制剂有可能对SARS起作用。

Objective： We used docking techniques to investigate whether chemical compounds which inhibit HIV membrane fusion have the ability against fusion of SARS-CoV with target cells. Methods： We searched and selected the chemical compounds against HIV membrane fusion from PubChem database. The binding affinities of HIV fusion inhibitors to SARS-CoV central HR1 coiled coil structure were predicated using DOCK version 5.1.1. Results： The ADS-J1, ADS-J2, XTY Formazan have binding affinities for SARS fusion core, because they obtained high score in docking calculations. Conclusion： Existing HIV membrane fusion inhibitors may have the similar inhibiting activities against SARS-CoV