Comparative molecular field analysis (CoMFA) models of phenylethanolamine N-methyltransferase (PNMT) and the alpha(2)-adrenoceptor: The development of new highly selective inhibitors of PNMT

Authors
Grunewald, GL Caldwell, TM Dahanukar, VH Jalluri, RK Criscione, KR
Citation
Gl. Grunewald et al., Comparative molecular field analysis (CoMFA) models of phenylethanolamine N-methyltransferase (PNMT) and the alpha(2)-adrenoceptor: The development of new highly selective inhibitors of PNMT, BIOORG MED, 9(3), 1999, pp. 481-486
Citations number
10
Categorie Soggetti
Chemistry & Analysis
Journal title
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
ISSN journal
0960894X → ACNP
Volume
9
Issue
3
Year of publication
1999
Pages
481 - 486
Database
ISI
SICI code
0960-894X(19990208)9:3<481:CMFA(M>2.0.ZU;2-M
Abstract
As a guide to the development of new and more selective inhibitors of pheny lethanolamine N-methyltransferase (PNMT) vs the alpha(2)-adrenoceptor, we h ave performed a comparative molecular field analysis (CoMFA) on a series of 80 benzylamine analogues. Using the models obtained, we have proposed a se ries of 3-trifluoromethyl-1,2,3,4-tetrahydroisoquinolines and predicted the activity of other analogues. (C) 1999 Elsevier Science Ltd. All rights res erved.