Author/Editor		Jerman-Blažič, B; Fabič-Petrač, I; Pečar, S; Štalc, A
Title		QSAR analysis of acetylcholinesterase inhibitors by use of structure similarity methods
Type		članek
Source		Prog Clin Biol Res
Vol. and No.		Letnik 291
Publication year		1989
Volume		str. 213-6
Language		eng
Abstract		QSAR analysis of acetylcholinesterase inhibitors by a computer system for classification of chemical compounds by use of structure similarity methods has shown that the activity of these compounds is highly correlated with the geometry and the shape of attached radicals. Best values of the biochemical properties were obtained for compounds containing an optimal length of the attached radicals R1 and R2. The predicted values of the bimolecular rate constant for four compounds agree very well with the experimental results.
Descriptors		CHOLINESTERASE INHIBITORS STRUCTURE-ACTIVITY RELATIONSHIP ACETYLCHOLINESTERASE BINDING SITES CHOLINESTERASE INHIBITORS DRUG DESIGN MODELS, THEORETICAL MOLECULAR CONFORMATION