Acta Phys. -Chim. Sin. ›› 2006, Vol. 22 ›› Issue (03): 359-364.doi: 10.3866/PKU.WHXB20060321
• Note •
YAN Hao; JIANG Feng-Chao
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.
Computer-aided drug design,
YAN Hao; JIANG Feng-Chao. Pharmacophore Model Construction of γ-secretase Inhibitor[J].Acta Phys. -Chim. Sin., 2006, 22(03): 359-364.
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