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Citation: YAN Hao, JIANG Feng-Chao. Pharmacophore Model Construction of γ-secretase Inhibitor[J]. Acta Physico-Chimica Sinica, ;2006, 22(03): 359-364. doi: 10.3866/PKU.WHXB20060321 shu

Pharmacophore Model Construction of γ-secretase Inhibitor

YAN Hao ,
JIANG Feng-Chao

1.
School of Pharmacy, Tongji Medical College of Huazhong Science & Techology University, Wuhan 430030, P. R. China

Received Date: 9 August 2005
Available Online: 10 March 2006

The pharmacophore model of γ-secretase inhibitors was established by the Catalyst software with the training set of Benzodiazepine-based γ-secretase inhibitors. Based on the action mechanism and the known structure-activity relationship, a fitting pharmacophore model (RMS=0.366343, Correl=0.95535, Weight=1.17389, Config=18.8671) including two hydrogen-bonding acceptors, an aliphatic hydrophobic core and an aromatic ring center, was confirmed. This pharmacophore model will contribute to the design and synthesis of new-type γ-secretase inhibitors.
- Alzheimer′s disease; Computer-aided drug design; γ-secretase inhibitor; Pharmaophore
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