Identification of novel small molecule inhibitors against NS2B/NS3 serine protease from Zika virus

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• 作者：Hyun Lee^a ; Jinhong Ren^b ; Salvatore Nocadello^d ; Amy J. Rice^b ; ^c ; Isabel Ojeda^b ; ^c ; Samuel Light^d ; George Minasov^d ; Jason Vargas^b ; ^c ; Dhanapalan Nagarathnam^e ; Wayne F. Anderson^d ; Michael E. Johnson^a ; ^{mssjohnson@novalextherapeutics.com}
• 关键词：Zika flavivirus ; NS2B/NS3 serine protease ; Small molecule inhibitor ; apo ZIKV NS2B-NS3pro structure
• 刊名：Antiviral Research
• 出版年：2017
• 出版时间：March 2017
• 年：2017
• 卷：139
• 期：Complete
• 页码：49-58
• 全文大小：2879 K
• 卷排序：139

文摘

We identified several small molecule inhibitors of the Zika NS2B-NS3 protease. Two lead compounds were determined to be competitive inhibitors by both enzymatic and competition SPR binding analyses. We determined the X-ray structure of the apo Zika NS2B-NS3 protease in a “pre-open conformation”.