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J Med Chem. 2010 Mar 11;53(5):2314-8. doi: 10.1021/jm901469p.

Structural insights into the design of small molecule inhibitors that selectively antagonize Mcl-1.

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1
Institute of Chemical and Engineering Sciences, Agency for Science Technology and Research, 1 Pesek Road, Jurong Island, Singapore. paul_bernardo@ices.a-star

Abstract

The screening of a small focused library of rhodanine derivatives as inhibitors of Bcl-2 proteins led to the discovery of two structurally related compounds with different binding profiles against the Bcl-XL and the Mcl-1 proteins. Subsequent NMR studies with mutant proteins and in silico docking studies provide a possible rationale for the observed specificity.

PMID:
20158203
DOI:
10.1021/jm901469p
[Indexed for MEDLINE]
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