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

Authors
QUINN RJ TAYLOR C SUGANUMA M FUJIKI H
Citation
Rj. Quinn et al., THE CONSERVED ACID-BINDING DOMAIN MODEL OF INHIBITORS OF PROTEIN PHOSPHATASE-1 AND PHOSPHATASE-2A - MOLECULAR MODELING ASPECTS, Bioorganic & medicinal chemistry letters, 3(6), 1993, pp. 1029-1034
Citations number
27
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Medicinal
Journal title
Bioorganic & medicinal chemistry letters → ACNP
ISSN journal
0960894X
Volume
3
Issue
6
Year of publication
1993
Pages
1029 - 1034
Database
ISI
SICI code
0960-894X(1993)3:6<1029:TCADMO>2.0.ZU;2-L
Abstract
Using molecular modelling, three chemically distinct members of the ok adaic acid class of protein phosphatase inhibitors and tumor promoters , okadaic acid, calyculin A and microcystin-LR were fitted together. T he molecular modelling results indicate a pharmacophore model consisti ng of a central core, containing one conserved acidic group and two po tential hydrogen bonding sites, and a non-polar side chain.