Conformational analyses of thiirane-based gelatinase inhibitors |
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| Authors: | Lee Mijoon Hesek Dusan Shi Qicun Noll Bruce C Fisher Jed F Chang Mayland Mobashery Shahriar |
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| Affiliation: | Department of Chemistry and Biochemistry, Walther Cancer Research Center, University of Notre Dame, Notre Dame, IN 46556, USA. |
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| 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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