Pharmacophore identification of Raf-1 kinase inhibitors

摘要：

A three-dimensional pharmacophore model was developed based on 25 currently available Raf-1 kinase inhibitors. The best pharmacophore hypothesis (Hypol), 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.

关键词： Raf-1 kinase Pharmacophore Homology modeling Docking

作者: Tian Zhu Yu Jiao Ya-Dong Chen Xuan Wang Hui-Fang Li Lu-Yong Zhang Tao Lu

作者单位: National Drug Screening Laboratory.China Pharmaceutical University, 1 Shennong Road, Nanjing 210038, Department of Organic Chemistry, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, P Department of Organic Chemistry, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, P

会议类型: 国际会议

会议名称: 第四届国际分子模拟与信息技术应用学术会议(The 4th International Conference of Molecular Simulations and Applied Informatics Technologies)

会议地点: 广州

会议语种:英文

页码: 239-243

在线出版日期: 2008-11-01（万方平台首次上网日期，不代表论文的发表时间）