Inhibitors of SARS-CoV 3CLpro
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Inhibitors of SARS-CoV 3CLpro



Chemical Formula: C20H13F3N4O2S

Molecular Weight: 430.4

OTAVAchemicals Catalogue Number: 7020160376

CAS Registry Number: N/A

Purity: 95% (HPLC)

Ref. : Tsai, K.-C., Chen, S.-Y., Liang, P.-H., Lu, I.-L., Mahindroo, N., Hsieh, H.-P., … Wu, S.-Y. (2006). Discovery of a Novel Family of SARS-CoV Protease Inhibitors by Virtual Screening and 3D-QSAR Studies. Journal of Medicinal Chemistry, 49(12), 3485–3495

Abstract: The severe acute respiratory syndrome-associated coronavirus (SARS-CoV) 3C-like protease (3CLpro or Mpro) 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 3CLpro. Out of the 59 363 compounds docked, 93 were selected for the inhibition assay, and 21 showed inhibition against SARS-CoV 3CLpro (IC50 e 30 µM), with three of them having common substructures. Furthermore, a search for analogues with common substructure in the Maybridge, ChemBridge, and SPECS_SC databases led to the identification of another 25 compounds that exhibited inhibition against SARS-CoV 3CLpro (IC50 ) 3-1000 µM). These compounds, 28 in total,
were subjected to 3D-QSAR studies to elucidate the pharmacophore of SARS-CoV 3CLpro.
DOI: 10.1021/jm050852f


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300uL of 10mM solution

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