Steric parameters, molecular modeling and hydropathic interaction analysis of the pharmacology of para-substituted methcathinone analogues.

ABSTRACT:

Background and purpose

There is growing concern over the abuse of certain psychostimulant methcathinone (MCAT) analogues. This study extends an initial quantitative structure-activity relationship (QSAR) investigation that demonstrated important steric considerations of seven 4- (or para-)substituted analogues of MCAT. Specifically, the steric character (Taft's steric ES ) of the 4-position substituent affected in vitro potency to induce monoamine release via dopamine and 5-HT transporters (DAT and SERT) and in vivo modulation of intracranial self-stimulation (ICSS). Here, we have assessed the effects of other steric properties of the 4-position substituents.

Experimental approach

Definitive steric parameters that more explicitly focus on the volume, width and length of the

SUBMITTER: Sakloth F 

PROVIDER: S-EPMC4403088 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature