Comparative molecular field analysis (CoMFA) models of phenylethanolamine N-methyltransferase (PNMT) and the alpha2-adrenoceptor: the development of new, highly selective inhibitors of PNMT.
As a guide to the development of new and more selective inhibitors of phenylethanolamine N-methyltransferase (PNMT) vs the alpha2-adrenoceptor, we have performed a comparative molecular field analysis (CoMFA) on a series of 80 benzylamine analogues. Using the models obtained, we have proposed a series of 3-trifluoromethyl-1,2,3,4-tetrahydroisoquinolines and predicted the activity of other analogues.
Grunewald
G L
GL
Department of Medicinal Chemistry, University of Kansas, Lawrence 66045, USA.
Caldwell
T M
TM
Dahanukar
V H
VH
Jalluri
R K
RK
Criscione
K R
KR
D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D008956:Models, Chemical; D010625:Phenylethanolamine N-Methyltransferase / Q000037:antagonists & inhibitors* / Q000737:chemistry; D018341:Receptors, Adrenergic, alpha-2 / Q000737:chemistry*; D013329:Structure-Activity Relationship
D004791:Enzyme Inhibitors; D018341:Receptors, Adrenergic, alpha-2; D010625:Phenylethanolamine N-Methyltransferase