Selected article for: "approach virtual screening and virtual screening"

Author: Tsai, Keng-Chang; Chen, Shih-Yuan; Liang, Po-Huang; Lu, I-Lin; Mahindroo, Neeraj; Hsieh, Hsing-Pang; Chao, Yu-Sheng; Liu, Lincoln; Liu, Donald; Lien, Wei; Lin, Thy-Hou; Wu, Su-Ying
Title: Discovery of a novel family of SARS-CoV protease inhibitors by virtual screening and 3D-QSAR studies.
  • Cord-id: 5u4u0f0l
  • Document date: 2006_1_1
  • ID: 5u4u0f0l
    Snippet: The severe acute respiratory syndrome-associated coronavirus (SARS-CoV) 3C-like protease (3CL(pro) or M(pro)) is an attractive target for the development of anti-SARS drugs because of its crucial role in the viral life cycle. In this study, a compound database was screened by the structure-based virtual screening approach to identify initial hits as inhibitors of SARS-CoV 3CL(pro). Out of the 59,363 compounds docked, 93 were selected for the inhibition assay, and 21 showed inhibition against SAR
    Document: The severe acute respiratory syndrome-associated coronavirus (SARS-CoV) 3C-like protease (3CL(pro) or M(pro)) is an attractive target for the development of anti-SARS drugs because of its crucial role in the viral life cycle. In this study, a compound database was screened by the structure-based virtual screening approach to identify initial hits as inhibitors of SARS-CoV 3CL(pro). Out of the 59,363 compounds docked, 93 were selected for the inhibition assay, and 21 showed inhibition against SARS-CoV 3CL(pro) (IC(50)
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