Simulations of a specific inhibitor of the dishevelled PDZ domain

被引：7

作者：

Chen, Xin ^{[2
]}

Deng, Yuefan ^{[1
]}

机构：

[1] SUNY Stony Brook, Dept Appl Math, Stony Brook, NY 11794 USA

[2] SUNY Stony Brook, Dept Phys, Stony Brook, NY 11794 USA

来源：

JOURNAL OF MOLECULAR MODELING | 2009年 / 15卷 / 01期

关键词：

Dishevelled PDZ domain; Molecular dynamics; Protein docking; MAMMARY ONCOGENE INT-1; BETA-CATENIN; WNT; CANCER; DROSOPHILA; MOLECULES; POLARITY; MODE;

D O I：

10.1007/s00894-008-0377-x

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The dishevelled (Dvl) PDZ domain is believed to play an essential role in the canonical and noncanonical Wnt signaling pathways, which are involved in embryo development as well as in tumorigenesis. Also, it binds directly to frizzled (Fz) receptors. An organic molecule (NSC668036) from the National Cancer Institute small-molecule library has been identified to be able to bind to the Dvl PDZ domain. Molecular dynamics simulation was used to provide detailed analyses of the binding between them.

引用

页码：91 / 96

页数：6

共 19 条

[1]

[Anonymous], 2004, AMBER 8 USERS MANUAL

[2] Wnt signaling: why is everything so negative? [J].

Brown, JD ;

Moon, RT .

CURRENT OPINION IN CELL BIOLOGY, 1998, 10 (02) :182-187

[3] Dapper, a Dishevelled-associated antagonist of β-catenin and JNK signaling, is required for notochord formation [J].

Cheyette, BNR ;

Waxman, JS ;

Miller, JR ;

Takemaru, KI ;

Sheldahl, LC ;

Khlebtsova, N ;

Fox, EP ;

Earnest, T ;

Moon, RT .

DEVELOPMENTAL CELL, 2002, 2 (04) :449-461

[4]

Frisch M. J., 2004, GAUSSIAN 03

[5] Caught up in a Wnt storm: Wnt signaling in cancer [J].

Giles, RH ;

van Es, JH ;

Clevers, H .

BIOCHIMICA ET BIOPHYSICA ACTA-REVIEWS ON CANCER, 2003, 1653 (01) :1-24

[6]

Kreidberg JA, 1996, MED PEDIATR ONCOL, V27, P445, DOI 10.1002/(SICI)1096-911X(199611)27:5<445::AID-MPO10>3.0.CO

[7]

2-9

[8] The promise and perils of Wnt signaling through β-catenin [J].

Moon, RT ;

Bowerman, B ;

Boutros, M ;

Perrimon, N .

SCIENCE, 2002, 296 (5573) :1644-1646

[9] MODE OF PROVIRAL ACTIVATION OF A PUTATIVE MAMMARY ONCOGENE (INT-1) ON MOUSE CHROMOSOME-15 [J].

NUSSE, R ;

VANOOYEN, A ;

COX, D ;

FUNG, YKT ;

VARMUS, H .

NATURE, 1984, 307 (5947) :131-136

[10] MUTATIONS AFFECTING SEGMENT NUMBER AND POLARITY IN DROSOPHILA [J].

NUSSLEINVOLHARD, C ;

WIESCHAUS, E .

NATURE, 1980, 287 (5785) :795-801

← 1 2 →