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Ying Yang, Wei Zhang, Jiagao Cheng, Yun Tang, Yanqing Peng and Zhong Li Pharmacophore, 3D-QSAR, and Bayesian Model Analysis for Ligands Binding at the Benzodiazepine Site of GABAA Receptors: the Key Roles of Amino Group and Hydrophobic Sites Chemical Biology & Drug Design 81

Article first published online: 26 MAR 2013 | DOI: 10.1111/cbdd.12100

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Pharmacophore modeling, 3D-QSAR analysis and Bayesian model studies have been performed on ligands binding at the BZD site. All the results revealed that a hydrogen-bond donor (e.g. N-H) and a hydrophobic group (e.g. Br) are critical structural features for the ligands binding at the BZD site. That could be useful in future ligand design of GABAA receptor.

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