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Citation: SHENG Rong, HU Chun-Qi, HUANG Wen-Hai, HU Yong-Zhou. Pharmacophore Model Construction of p53-MDM2 Binding Inhibitors[J]. Acta Physico-Chimica Sinica, ;2007, 23(11): 1815-1820. doi: 10.3866/PKU.WHXB20071131 shu

Pharmacophore Model Construction of p53-MDM2 Binding Inhibitors

1.
Zhejiang University-Ecole Normale Superieure Joint Laboratory of Medicinal Chemistry, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, P. R. China

Received Date: 9 May 2007
Available Online: 6 August 2007

The pharmacophore model of p53-MDM2 binding inhibitors was established by the Catalyst software with the training set of 24 inhibitors containing 5 different kinds of structures. Based on the information of p53-MDM2 binding structure, a fitting pharmacophore model (Correl=0.941, Config=17.530, ⊿cost=150.830) including one hydrogen-bonding acceptor, one aromatic ring center and three aliphatic hydrophobic cores was confirmed. The pharmacophore model could be used to screen new lead compound of p53-MDM2 binding inhibitor.
- p53-MDM2 binding inhibitor; Pharmacophore model; Catalyst software
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