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

Quek, Jun Ping; Liu, Shuang; Zhang, Zhenzhen; Li, Yan; Ng, Elizabeth Yihui; Loh, Ying Ru; Hung, Alvin W; Luo, Dahai; Kang, CongBao

Quek, Jun Ping; Liu, Shuang; Zhang, Zhenzhen; Li, Yan; Ng, Elizabeth Yihui; Loh, Ying Ru; Hung, Alvin W; Luo, Dahai; Kang, CongBao.

Afiliación

Quek JP; Lee Kong Chian School of Medicine, Nanyang Technological University, EMB 03-07, 59 Nanyang Drive, Singapore, 636921, Singapore.
Liu S; Experimental Drug Development Centre (EDDC), Agency for Science, Technology and Research (A*STAR), 10 Biopolis Road, Chromos, #05-01, Singapore, 138670, Singapore.
Zhang Z; Lee Kong Chian School of Medicine, Nanyang Technological University, EMB 03-07, 59 Nanyang Drive, Singapore, 636921, Singapore.
Li Y; Experimental Drug Development Centre (EDDC), Agency for Science, Technology and Research (A*STAR), 10 Biopolis Road, Chromos, #05-01, Singapore, 138670, Singapore.
Ng EY; Experimental Drug Development Centre (EDDC), Agency for Science, Technology and Research (A*STAR), 10 Biopolis Road, Chromos, #05-01, Singapore, 138670, Singapore.
Loh YR; Experimental Drug Development Centre (EDDC), Agency for Science, Technology and Research (A*STAR), 10 Biopolis Road, Chromos, #05-01, Singapore, 138670, Singapore.
Hung AW; 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.
Luo D; 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.
Kang C; 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.

Antiviral Res ; 175: 104707, 2020 03.

Article en En | MEDLINE | ID: mdl-31953156

Asunto(s)

Antivirales/farmacología; Descubrimiento de Drogas; Bibliotecas de Moléculas Pequeñas; Proteínas no Estructurales Virales/antagonistas & inhibidores; Proteínas Virales/antagonistas & inhibidores; Virus Zika/efectos de los fármacos; Antivirales/química; Dominio Catalítico; Cristalografía por Rayos X; Modelos Moleculares; Inhibidores de Proteasas/química; Inhibidores de Proteasas/farmacología; Unión Proteica; Conformación Proteica; Serina Endopeptidasas; Virus Zika/enzimología

Palabras clave

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

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Antivirales / Proteínas Virales / Proteínas no Estructurales Virales / Bibliotecas de Moléculas Pequeñas / Descubrimiento de Drogas / Virus Zika Tipo de estudio: Diagnostic_studies Idioma: En Revista: Antiviral Res Año: 2020 Tipo del documento: Article País de afiliación: Singapur Pais de publicación: Países Bajos

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