THE CONSERVED ACID-BINDING DOMAIN MODEL OF INHIBITORS OF PROTEIN PHOSPHATASE-1 AND PHOSPHATASE-2A - MOLECULAR MODELING ASPECTS

被引:45
作者
QUINN, RJ [1 ]
TAYLOR, C [1 ]
SUGANUMA, M [1 ]
FUJIKI, H [1 ]
机构
[1] NATL CANC CTR, RES INST, DIV CANC PREVENT, CHUO KU, TOKYO 104, JAPAN
关键词
D O I
10.1016/S0960-894X(00)80281-4
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
Using molecular modelling, three chemically distinct members of the okadaic acid class of protein phosphatase inhibitors and tumor promoters, okadaic acid, calyculin A and microcystin-LR were fitted together. The molecular modelling results indicate a pharmacophore model consisting of a central core, containing one conserved acidic group and two potential hydrogen bonding sites, and a non-polar side chain.
引用
收藏
页码:1029 / 1034
页数:6
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