An inhibition model of BPTI to unlinked dengue virus NS2B-NS3 protease

来源 :第七届国际分子模拟与信息技术应用学术会议 | 被引量 : 0次 | 上传用户:zhuyanhua421
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  One approach to treating the dengue virus infection is to inhibit its NS2B-NS3 protease that plays a vital role in virus maturation.However, the lack of structural information on the active conformation of the protease hindered related drug design.With a co-expression system, we obtained the active two-component protease in its unlinked form.BPTI shows strong competitive inhibitory activity (Ki =6.5 nM) against this unlinked protease, which adopts a closed conformation.Based on the biochemical and NMR perturbation information, an inhibition model of BPTI to NS2B-NS3 protease is proposed.
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