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Designing Smac-mimetics as antagonists of XIAP, cIAP1, and cIAP2.

Abstract：

:Inhibitor of apoptosis proteins (IAPs) such as XIAP, cIAP1, and cIAP2 are upregulated in many cancer cells. Several compounds targeting IAPs and inducing cell death in cancer cells have been developed. Some of these are synthesized mimicking the N-terminal tetrapeptide sequence of Smac/DIABLO, the natural endogenous IAPs inhibitor. Starting from such conceptual design, we generated a library of 4-substituted azabicyclo[5.3.0]alkane Smac-mimetics. Here we report the crystal structure of the BIR3 domain from XIAP in complex with Smac037, a compound designed according to structural principles emerging from our previously analyzed XIAP BIR3/Smac-mimetic complexes. In parallel, we present an in silico docking analysis of three Smac-mimetics to the BIR3 domain of cIAP1, providing general considerations for the development of high affinity lead compounds targeting three members of the IAP family.

journal_name

Biochem Biophys Res Commun

journal_title

Biochemical and biophysical research communications

authors

Cossu F,Mastrangelo E,Milani M,Sorrentino G,Lecis D,Delia D,Manzoni L,Seneci P,Scolastico C,Bolognesi M

doi

10.1016/j.bbrc.2008.10.139

subject

Has Abstract

pub_date

2009-01-09 00:00:00

pages

162-7

issue

2

eissn

0006-291X

issn

1090-2104

pii

S0006-291X(08)02112-8

journal_volume

378

pub_type

杂志文章

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