Structure-activity relationship studies of CNS agents. Part III. On the bioactive conformations of 1-arylpiperazines at 5-HT1A receptor.
Quantitative structure-activity relationships (QSAR) were analyzed for 5-HT1 and 5-HT1A affinity data of two series of 1-arylpiperazines. A conformational analysis of the investigated derivatives was performed using CNDO/2 method. It was shown that some 1-arylpiperazines adopt the bioactive conformations, while the others, like 1-(2-alkylphenyl)-piperazines, should exist in the twisted conformations at the receptor sites.
Department of Organic Chemistry, Polish Academy of Sciences, Kraków.
J L
JL
Mokrosz
B
B
Duszyńska
A
A
Bojarski
D000818:Animals; D014151:Anti-Anxiety Agents / Q000378:metabolism; D000928:Antidepressive Agents / Q000378:metabolism; D001921:Brain / Q000378:metabolism*; D010879:Piperazines / Q000378:metabolism*; D051381:Rats; D011985:Receptors, Serotonin / Q000378:metabolism*; D012701:Serotonin / Q000378:metabolism*; D013329:Structure-Activity Relationship
D014151:Anti-Anxiety Agents; D000928:Antidepressive Agents; D010879:Piperazines; D011985:Receptors, Serotonin; D012701:Serotonin