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Citation: Hou Ting-Jun, Wu Zeng-Ru, Liao Ning, Li Zheng, Luo Hong-Peng, Hong Jia-Quan, Xu Xiao-Jie. Pharmacophore Model and 3D-QSAR Study of Two Kinds of HCVNS3 Serine Protease Inhibitors[J]. Acta Physico-Chimica Sinica, ;2000, 16(03): 196-201. doi: 10.3866/PKU.WHXB20000302 shu

Pharmacophore Model and 3D-QSAR Study of Two Kinds of HCVNS3 Serine Protease Inhibitors

1.
Department of Chemistry,Beida-Jiuyuan Molecular Design Laboratory,Peking University,Beijing 100871

Received Date: 22 June 1999
Available Online: 15 March 2000

In this paper, the three dimensional pharmacophore model of two kinds of HCV NS3 serine protease inhibitors was obtained by using the CATALYST software. Although these two kinds of inhibitors possess quite different structures,yet a common pharmacophore model with very od statistical results can be determined. The results uncover that these two kinds of molecules will take the similar pattern when they interact with the receptor. Based on the pharmacophore model, a 3D-QSAR analysis was performed and the model showed od predictive ability (correlation coefficient R=0.89).
- HCV NS3 serine protease inhibitors,
- Pharmacophore model,
- 3D-QSAR,
- CATALYST software
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