埃博拉病毒VP40蛋白抑制剂的虚拟筛选

Ebola virus is known as the pandemic and deadly influenza virus ,which causes Ebola hemorrhagic fever in human and primates. It was becoming endemic in middle Africa with the motality between 50% and 90%. The virus is considered as one of the most severe virus harmful to humans, for there are not effective drugs and vaccines. Therefore, to study the prevention and treatment of ebola virus is of great significance. Our work is based on the thought of old drugs used in new ways by computer virtual screening method to search inhibitors. We aimed to screen small molecules existing in FDA-approved drugs which could bind with ebola VP40 protein. In this study, we selected five small drug molecules which are promising to bind with VP40 by counting binding score and shape complementarity. We expect the study of this paper can provide useful information for the subsequent ebola drugs research.