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Issue 23, 2018
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Target-guided screening of fragments (TGSOF) in the discovery of inhibitors against EV-A71 3C protease

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Abstract

Target-guided screening of fragments (TGSOF) was developed and employed in the identification of EV-A71 3C protease (3Cpro) inhibitors. We identified 4-acetylpyridine and 3-acetylpyridine as effective P3 fragments of an inhibitor and obtained the corresponding irreversible inhibitors 12c and 12fvia this method. Furthermore, based on 12c and 12f, we have obtained reversible inhibitors 17c and 17f. These results demonstrated that TGSOF is a useful strategy for identifying suitable fragments in developing leads in drug discovery.

Graphical abstract: Target-guided screening of fragments (TGSOF) in the discovery of inhibitors against EV-A71 3C protease

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Publication details

The article was received on 19 Jan 2018, accepted on 19 Feb 2018 and first published on 27 Feb 2018


Article type: Communication
DOI: 10.1039/C8CC00469B
Citation: Chem. Commun., 2018,54, 2890-2893
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    Target-guided screening of fragments (TGSOF) in the discovery of inhibitors against EV-A71 3C protease

    S. Fu, Q. Nie, Y. Ma, P. Song, X. Ren, C. Luo, L. Shang and Z. Yin, Chem. Commun., 2018, 54, 2890
    DOI: 10.1039/C8CC00469B

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