Pharmacophore identification of Raf-1 kinase inhibitors |
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| Authors: | Zhu Tian Jiao Yu Chen Ya-Dong Wang Xuan Li Hui-Fang Zhang Lu-Yong Lu Tao |
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| Affiliation: | National Drug Screening Laboratory, China Pharmaceutical University, 1 Shennong Road, Nanjing 210038, PR China. |
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| 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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