Ym. Chumakov et al., Molecular structure and affinity to 5-HT1A receptor of chlorophenyl(piperazinylalkyl)phthalimides, SUPRAMOL CH, 12(2), 2000, pp. 225-227
X-ray crystallography, quantum-chemical calculations and conformational ana
lysis have been employed to study chlorophenyl(piperazinylalkyl)phthalimide
s, potential ligands of 5-HT1A receptor. The molecular recognition of inves
tigated compounds by 5-HT(1A)serotonin receptor has been estimated accordin
g to their ability to inhibit the [(3)H8]-DPAT binding. The model for 5-HT1
A pharmacophore has been proposed based on crystal structures of N-(aryl)pi
perazinyl - alkylphthalimides.