Open AccessQSAR Modeling of the NMDA Receptor Blockage by Polypharmacophoric Compounds Based on Carbazole and 1-aminoadamantane Derivatives
Author(s) -
Grigor'ev Va,
Oleg A. Raevsky
Publication year - 2018
Publication title -
biomedical chemistry: research and methods
Language(s) - English
Resource type - Journals
ISSN - 2618-7531
DOI - 10.18097/bmcrm00064
Subject(s) - nmda receptor , carbazole , quantitative structure–activity relationship , chemistry , ic50 , pharmacology , combinatorial chemistry , stereochemistry , receptor , in vitro , organic chemistry , biochemistry , biology
We investigated 14 compounds causing the NMDA receptor blockage. These polypharmacophoric compounds are conjugates of carbazole, tetrahydrocarbazole and 1-aminoadamantane derivatives. As a measure of biological activity of the compound tested, the IC50 (μM) value, reflecting 50% inhibition of [H3] MK-801 binding to the NMDA receptor, was used. The regression model with satisfactory statistical characteristics was obtained as a result of the QSAR modeling based on the Gaussian process.