QSAR Modeling of the NMDA Receptor Blockage by Polypharmacophoric Compounds Based on Carbazole and 1-aminoadamantane Derivatives

  • V.Yu. Grigorev Institute of Physiologically Active Compounds of the Russian Academy of Sciences, 1 Severny proezd, Moscow region, Chernogolovka, 142432 Russia
  • O.A. Raevsky Institute of Physiologically Active Compounds of the Russian Academy of Sciences, 1 Severny proezd, Moscow region, Chernogolovka, 142432 Russia
Keywords: QSAR, NMDAR, polypharmacophoric compounds

Abstract

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.

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Published
2018-10-02
Section
Experimental Research