Differentiating Serine and Cysteine Protease Mechanisms by New Covalent QSAR Descriptors

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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Bibliographische Detailangaben
Veröffentlicht in:	Chembiochem : a European journal of chemical biology 2011-05, Vol.12 (7), p.1023-1026
Hauptverfasser:	Shokhen, Michael, Traube, Tamar, Vijayakumar, Subramaniam, Hirsch, Michal, Uritsky, Neta, Albeck, Amnon
Format:	Artikel
Sprache:	eng
Schlagworte:	alpha-ketoheteroaromatics Biocatalysis Catalytic Domain - drug effects covalent inhibitors Cysteine Proteases - chemistry Cysteine Proteases - metabolism Enzyme Inhibitors - chemistry Enzyme Inhibitors - pharmacology enzyme mechanism Molecular Conformation molecular modeling Quantitative Structure-Activity Relationship Serine Proteases - chemistry Serine Proteases - metabolism structure-activity relationships
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Beschreibung
Zusammenfassung:	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.
ISSN:	1439-4227 1439-7633
DOI:	10.1002/cbic.201000459