Quantitative structure-activity relationship studies of non-aromatic analogues of ethanolamine as inhibitors of phenylethanolamine N-methyltransferase.
The phenylethanolamine N-methyltransferase inhibition potency of non-aromatic ethanolamines is found by regression analysis to be significantly correlated with van der Waals volume, Vw. For the proper inhibition of this enzyme the size of a substituent on beta-carbon of ethanolamine chain should be comparable to the cavity size of enzyme and there should be no other bigger group present on this carbon, which can cause a steric crowding, when the molecule approaches the reactive site of the enzyme.
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004983:Ethanolamines / Q000494:pharmacology*; D010625:Phenylethanolamine N-Methyltransferase / Q000037:antagonists & inhibitors*; D013329:Structure-Activity Relationship
D004983:Ethanolamines; D010625:Phenylethanolamine N-Methyltransferase