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. 2008 Apr 1;18(7):2346-50.
doi: 10.1016/j.bmcl.2008.02.068. Epub 2008 Mar 4.

Pharmacophore identification of Raf-1 kinase inhibitors

Tian Zhu  1 , Yu Jiao, Ya-Dong Chen, Xuan Wang, Hui-Fang Li, Lu-Yong Zhang, Tao Lu
Affiliations

Pharmacophore identification of Raf-1 kinase inhibitors

Tian Zhu et al. Bioorg Med Chem Lett. .

Abstract

A three-dimensional pharmacophore model was developed based on 25 currently available Raf-1 kinase inhibitors. The best pharmacophore hypothesis (Hypo1), consisting of four chemical features (one hydrogen-bond acceptor, one hydrogen-bond donor, and two hydrophobic groups), has a correlation coefficient of 0.972. The results of our study provide a valuable tool in designing new leads with desired biological activity by virtual screening.

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