Analysis of the biological and molecular properties of phencyclidine-like compounds by chemometrics.
The quantitative structure-activity relationships (QSAR's) of 3 series of arylcyclohexylamines have been investigated using computational chemistry and multivariate statistics. Principal component analysis of the aromatic ring data set demonstrated some clustering of activity categories. Biological activity of the cyclohexane ring data set was correlated with molar refractivity. These findings may be useful for predicting the activity of novel neuroprotective agents.
Manallack
D T
DT
SmithKline Beecham, Welwyn, Hertfordshire, UK.
Davies
J W
JW
Beart
P M
PM
Saunders
M R
MR
Livingstone
D J
DJ
D003510:Cyclohexanes / Q000494:pharmacology; D008958:Models, Molecular; D015999:Multivariate Analysis; D010622:Phencyclidine / Q000031:analogs & derivatives* / Q000737:chemistry / Q000494:pharmacology*; D010880:Piperidines / Q000494:pharmacology; D013329:Structure-Activity Relationship
D003510:Cyclohexanes; D010880:Piperidines; D010622:Phencyclidine