title: Design, synthesis and biological evaluation of pyridin-3-yl pyrimidines as potent Bcr-Abl inhibitors.
abstract: A series of pyridin-3-yl pyrimidines was synthesized and evaluated for their Bcr-Abl inhibitory and anticancer activity. The preliminary results indicated that some compounds were promising anticancer agents. Compounds A2, A8, and A9 exhibited potent Bcr-Abl inhibitory activity, suggesting that aniline containing halogen substituents might be important for biological activity. Molecular docking was carried out to investigate the binding mode of them with Bcr-Abl. Details of synthesis and SAR studies of these compounds are described.
authors: School of Medicine, Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China.
authors: Xiaoyan
authors: X
authors: Pan
authors: Jinyun
authors: J
authors: Dong
authors: Hongping
authors: H
authors: Gao
authors: Fang
authors: F
authors: Wang
authors: Yanmin
authors: Y
authors: Zhang
authors: Sicen
authors: S
authors: Wang
authors: Jie
authors: J
authors: Zhang
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000633:toxicity; D001665:Binding Sites; D049109:Cell Proliferation / Q000187:drug effects; D015195:Drug Design; D016044:Fusion Proteins, bcr-abl / Q000037:antagonists & inhibitors*; D006801:Humans; D020014:K562 Cells; D062105:Molecular Docking Simulation; D047428:Protein Kinase Inhibitors / Q000138:chemical synthesis* / Q000633:toxicity; D017434:Protein Structure, Tertiary; D011743:Pyrimidines / Q000138:chemical synthesis / Q000737:chemistry* / Q000633:toxicity; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D047428:Protein Kinase Inhibitors; D011743:Pyrimidines; D016044:Fusion Proteins, bcr-abl
keywords: 3D-QSAR; Bcr-Abl; anticancer; leukemia cell; pyridin-3-yl pyrimidines