The main goal of the research was to identify and describe the bonding domain of the serotonergic 5-HT_1A receptor and to explain the possible mechanism of interaction between derivatives of N-substituted imide of 3,7-dimethyl-5-oxobicyclo[2.2.2]octane-1,2-dicarboxylic acid - the buspirone analogs, and receptor.

At the beginning, using the homology method based on the best-scored sequence alignement between the receptor protein and the rodopsine, 3D structure of 5-HT_1Areceptor was constructed with help of MODELLER software.

In next step group of ten ligands of know affinity with some structural analogy to the compounds investigated was selected. In this groupe buspirone, tandospirone and NAN 190 was included. The energy minimum optimazed 3D structures of ten standards and 12 derivatives of the imide of 3,7-dimethyl-5-oxobicyclo[2.2.2]octane-1,2-dicarboxylic acid was docked to the receptor with use of the PathDock software.

The results allow to point out the bonding domain for each compound showing also differences in their interactions with receptor.

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