期刊
CHEMMEDCHEM
卷 15, 期 20, 页码 1897-1908出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cmdc.202000470
关键词
boron neutron capture therapy (BNCT); carborane; matrix metalloproteinases (MMPs)
资金
- Loyola University Chicago and Northern Illinois University
Based on the previously reported potent and selective sulfone hydroxamate inhibitors SC-76276, SC-78080 (SD-2590), and SC-77964, potent MMP inhibitors have been designed and synthesized to append a boron-rich carborane cluster by employing click chemistry to target tumor cells that are known to upregulate gelatinases. Docking against MMP-2 suggests binding involving the hydroxamate zinc-binding group, key H-bonds by the sulfone moiety with the peptide backbone residues Leu82 and Leu83, and a hydrophobic interaction with the deep P1' pocket. The more potent of the two triazole regioisomers exhibits an IC(50)of 3.7 nM versus MMP-2 and IC(50)of 46 nM versus MMP-9.
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