Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.

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作者： Jun Ping,Quek ^[1] ; Shuang,Liu ^[2] ; Zhenzhen,Zhang ^[1] ; Yan,Li ^[2] ; Elizabeth Yihui,Ng ^[2] ; Ying Ru,Loh ^[2] ; Alvin W,Hung ^[3] ; Dahai,Luo ^[4] ; CongBao,Kang ^[5]

作者单位： Lee Kong Chian School of Medicine, Nanyang Technological University, EMB 03-07, 59 Nanyang Drive, Singapore, 636921, Singapore. ^[1] Experimental Drug Development Centre (EDDC), Agency for Science, Technology and Research (A*STAR), 10 Biopolis Road, Chromos, #05-01, Singapore, 138670, Singapore. ^[2] Experimental Drug Development Centre (EDDC), Agency for Science, Technology and Research (A*STAR), 10 Biopolis Road, Chromos, #05-01, Singapore, 138670, Singapore. Electronic address: whung@eddc.a-star.edu.sg. ^[3] Lee Kong Chian School of Medicine, Nanyang Technological University, EMB 03-07, 59 Nanyang Drive, Singapore, 636921, Singapore; NTU Institute of Structural Biology, Nanyang Technological University, EMB 06-01, 59 Nanyang Drive, Singapore, 636921, Singapore. Electronic address: luodahai@ntu.edu.sg. ^[4] Experimental Drug Development Centre (EDDC), Agency for Science, Technology and Research (A*STAR), 10 Biopolis Road, Chromos, #05-01, Singapore, 138670, Singapore. Electronic address: cbkang@eddc.a-star.edu.sg. ^[5]

关键词 Fragment-based drug discovery NMR Protease inhibitor Structure X-ray crystallography Zika Virus