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Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction
被引:52
作者:

Bolshan, Yuri
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h-index: 0
机构:
Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Getlik, Matthaeus
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h-index: 0
机构:
Ontario Inst Canc Res, MaRS Ctr, Toronto, ON M5G 0A3, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Kuznetsova, Ekaterina
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h-index: 0
机构:
Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Wasney, Gregory A.
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h-index: 0
机构:
Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

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Poda, Gennadiy
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Ontario Inst Canc Res, MaRS Ctr, Toronto, ON M5G 0A3, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Nguyen, Kong T.
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Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Wu, Hong
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h-index: 0
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Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Dombrovski, Ludmila
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h-index: 0
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Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Dong, Aiping
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h-index: 0
机构:
Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Senisterra, Guillermo
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h-index: 0
机构:
Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Schapira, Matthieu
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h-index: 0
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Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Arrowsmith, Cheryl H.
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h-index: 0
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Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Brown, Peter J.
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h-index: 0
机构:
Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Al-awar, Rima
论文数: 0 引用数: 0
h-index: 0
机构:
Ontario Inst Canc Res, MaRS Ctr, Toronto, ON M5G 0A3, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Vedadi, Masoud
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada

Smil, David
论文数: 0 引用数: 0
h-index: 0
机构:
Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada
机构:
[1] Univ Toronto, Struct Genom Consortium, MaRS Ctr, Toronto, ON M5G 1L7, Canada
[2] Ontario Inst Canc Res, MaRS Ctr, Toronto, ON M5G 0A3, Canada
基金:
英国惠康基金;
关键词:
WDR5;
MLL;
SET1 methyltransferase complex;
peptide binding site;
small molecule antagonists;
HISTONE H3;
DROSOPHILA-TRITHORAX;
ACUTE LEUKEMIAS;
CORE COMPLEX;
HOX GENES;
MLL;
METHYLATION;
RECOGNITION;
METHYLTRANSFERASES;
TRANSLOCATIONS;
D O I:
10.1021/ml300467n
中图分类号:
R914 [药物化学];
学科分类号:
100701 ;
摘要:
The WD40-repeat protein WDRS plays a critical role in maintaining the integrity of MLL complexes and fully activating their methyltransferase function. MLL complexes, the trithorax-like family of SET1 methyltransferases, catalyze trimethylation of lysine 4 on histone 3, and they have been widely implicated in various cancers. Antagonism of WDR5 and MLL subunit interaction by small molecules has recently been presented as a practical way to inhibit activity of the MLL1 complex, and N-(2-(4-methylpiperazin-1-yl)-5-substituted-phenyl) benzamides were reported as potent and selective antagonists of such an interaction. Here, we describe the protein crystal structure guided optimization of prototypic compound 2 (K-dis = 7 mu M), leading to identification of more potent antagonist 47 (K-dis = 0.3 mu M).
引用
收藏
页码:353 / 357
页数:5
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Chau, Irene
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Struct Genom Consortium, Toronto, ON M5G 1L7, Canada Struct Genom Consortium, Toronto, ON M5G 1L7, Canada

Li, Fengling
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Struct Genom Consortium, Toronto, ON M5G 1L7, Canada Struct Genom Consortium, Toronto, ON M5G 1L7, Canada

Poda, Gennadiy
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MaRS Ctr, Ontario Inst Canc Res, Toronto, ON M5G 0A3, Canada Struct Genom Consortium, Toronto, ON M5G 1L7, Canada

Couture, Jean-Francois
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Univ Ottawa, Dept Biochem Microbiol & Immunol, Ottawa Inst Syst Biol, Ottawa, ON K1H 8M5, Canada Struct Genom Consortium, Toronto, ON M5G 1L7, Canada

Brown, Peter J.
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Struct Genom Consortium, Toronto, ON M5G 1L7, Canada Struct Genom Consortium, Toronto, ON M5G 1L7, Canada

Al-Awar, Rima
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MaRS Ctr, Ontario Inst Canc Res, Toronto, ON M5G 0A3, Canada Struct Genom Consortium, Toronto, ON M5G 1L7, Canada

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Arrowsmith, Cheryl H.
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Struct Genom Consortium, Toronto, ON M5G 1L7, Canada
Univ Toronto, Ontario Canc Inst, Campbell Family Inst Canc Res, Toronto, ON M5S 1A8, Canada
Univ Toronto, Ontario Canc Inst, Dept Med Biophys, Toronto, ON M5S 1A8, Canada Struct Genom Consortium, Toronto, ON M5G 1L7, Canada

Vedadi, Masoud
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Struct Genom Consortium, Toronto, ON M5G 1L7, Canada Struct Genom Consortium, Toronto, ON M5G 1L7, Canada