Interaction of arylpiperazine ligands with the hydrophobic part of the 5-HT1A receptor binding site
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A flexible docking of a series of arylpiperazine derivatives with structurally different aryl part to the binding site of a model of human 5-HT1A receptor was exercised. The influence of structure and hydrophobic properties of aryl moiety on binding affinities was discussed and a model for ligand binding in the hydrophobic part of the binding site was proposed. (c) 2005 Elsevier Ltd. All rights reserved.
Keywords:5-HT1A / binding site / hydrophobic pocket / arylpiperazine
Source:Bioorganic and Medicinal Chemistry, 2006, 14, 9, 2994-3001
- Pergamon-Elsevier Science Ltd, Oxford