Abstract
Enterovirus had caused 4 epidemic outbreaks, these outbreaks happened in Bulgaria, Hungary, Malaysia and Taiwan. In the 1998 epidemic outbreak of enterovirus in Taiwan, 129,106 cases repor ted, 78 patient s died, 405 patient s with severe disease. Most cases in this outbreak are caused by enterovirus 71. To da te, there is no effective antiviral agent for t reatment of enterovirus 71. Here we t ried to find leads for anti - enterovirus 71 agent s by virtual screening. First, a virtual 3D s t ructure of capsid protein VP1 of enterovirus 71 is built by insightII homology module. Then DOCK and X-Score are combined to build two screening mo del,high - speed screening model and precise screening mo del, based on the mechanism of pleconaril. The precise screening model is fur ther seperated in two ways, corelation screening and binding site screening. We searched Maybridge database with these mo dels. After screening the 59,128 compunds in Maybridge da tabase, we picked out 83 potential compounds. These compounds will be activity tes ted. From the ra tio of active compounds in each screening model, we may conjecture the mechanism of these leads.