Abstract
A series of 3-3-(4-aryl-1-piperazinyl)-propyl-1H-indole derivatives (12a-h) was synthesized and evaluated for binding affinity at the human 5-hydroxytryptamine(1A) receptor (5-HT1AR) compounds (12b) and (12h) showed the highest 5-HT1A receptor affinity (IC50=15nM). Molecular docking studies with all the compounds in a homology model of 5-HT1A showed that the main interaction anchoring the ligand in the receptor was a charge-reinforced bond between the protonated nitrogen atom (N-4) of the piperazine ring and Aspartate(3.32).
- 5-ht1a,
- 5-hydroxytryptamine(1a)
- agonists,
- antidepressant,
- arylpiperazine
- automated
- binding,
- derivatives,
- docking,
- dqcauchile
- indoles,
- indolylalkylarylpiperazine,
- inhibitors
- ligands,
- receptor,
- selectivity,
- serotonin,
- substituted
- synthesis,
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