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Bioorganic & medicinal chemistry letters

Conformational analyses of thiirane-based gelatinase inhibitors.


PMID 18083555

Abstract

SB-3CT is a thiirane-containing inhibitor of the gelatinase class of matrix metalloprotease enzymes. In support of the mechanistic study of this inhibition, the conformational analyses of SB-3CT (and of two methyl-substituted derivatives) were undertaken using X-ray crystallography and molecular dynamics simulation.

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