Differentiating Serine and Cysteine Protease Mechanisms by New Covalent QSAR Descriptors

Michael Shokhen; Tamar Traube; Subramaniam Vijayakumar; Michal Hirsch; Neta Uritsky; Amnon Albeck

doi:10.1002/cbic.201000459

Differentiating Serine and Cysteine Protease Mechanisms by New Covalent QSAR Descriptors

Michael Shokhen, Tamar Traube, Subramaniam Vijayakumar, Michal Hirsch, Neta Uritsky, Amnon Albeck

Department of Chemistry

Bar-Ilan University

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	1023-1026
Number of pages	4
Journal	ChemBioChem
Volume	12
Issue number	7
Early online date	24 Mar 2011
DOIs	https://doi.org/10.1002/cbic.201000459
State	Published - 2 May 2011

Keywords

Alpha-ketoheteroaromatics
Covalent inhibitors
Enzyme mechanism
Molecular modeling
Structure-activity relationships

All Science Journal Classification (ASJC) codes

Biochemistry
Molecular Medicine
Molecular Biology
Organic Chemistry

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10.1002/cbic.201000459

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abstract = "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.",

keywords = "Alpha-ketoheteroaromatics, Covalent inhibitors, Enzyme mechanism, Molecular modeling, Structure-activity relationships",

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AU - Vijayakumar, Subramaniam

AU - Hirsch, Michal

AU - Uritsky, Neta

AU - Albeck, Amnon

PY - 2011/5/2

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KW - Alpha-ketoheteroaromatics

KW - Covalent inhibitors

KW - Enzyme mechanism

KW - Molecular modeling

KW - Structure-activity relationships

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DO - 10.1002/cbic.201000459

M3 - مقالة

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ER -

Differentiating Serine and Cysteine Protease Mechanisms by New Covalent QSAR Descriptors

Abstract

Keywords

All Science Journal Classification (ASJC) codes

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