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Differentiating Serine and Cysteine Protease Mechanisms by New Covalent QSAR Descriptors

Authors

  • Dr. Michael Shokhen,

    Corresponding author
    1. The Julius Spokojny Bioorganic Chemistry Laboratory, Department of Chemistry, Bar Ilan University, Ramat Gan 52900 (Israel), Fax: (+972) 3-5351250
    • The Julius Spokojny Bioorganic Chemistry Laboratory, Department of Chemistry, Bar Ilan University, Ramat Gan 52900 (Israel), Fax: (+972) 3-5351250
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  • Tamar Traube,

    1. The Julius Spokojny Bioorganic Chemistry Laboratory, Department of Chemistry, Bar Ilan University, Ramat Gan 52900 (Israel), Fax: (+972) 3-5351250
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  • Dr. Subramaniam Vijayakumar,

    1. The Julius Spokojny Bioorganic Chemistry Laboratory, Department of Chemistry, Bar Ilan University, Ramat Gan 52900 (Israel), Fax: (+972) 3-5351250
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  • Michal Hirsch,

    1. The Julius Spokojny Bioorganic Chemistry Laboratory, Department of Chemistry, Bar Ilan University, Ramat Gan 52900 (Israel), Fax: (+972) 3-5351250
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  • Neta Uritsky,

    1. The Julius Spokojny Bioorganic Chemistry Laboratory, Department of Chemistry, Bar Ilan University, Ramat Gan 52900 (Israel), Fax: (+972) 3-5351250
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  • Dr. Amnon Albeck

    Corresponding author
    1. The Julius Spokojny Bioorganic Chemistry Laboratory, Department of Chemistry, Bar Ilan University, Ramat Gan 52900 (Israel), Fax: (+972) 3-5351250
    • The Julius Spokojny Bioorganic Chemistry Laboratory, Department of Chemistry, Bar Ilan University, Ramat Gan 52900 (Israel), Fax: (+972) 3-5351250
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Abstract

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QSAR—A mechanistic tool for proteases: New covalent QSAR descriptors for enzyme inhibition, W1 and W2, serve as mechanistic tools in the study of Ser and Cys proteases, providing support to an ionic tetrahedral complex for the former and a neutral (protonated) tetrahedral complex for the latter.

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