title: Synthesis and quantum chemical studies of new 4-aminoquinazoline derivatives as Aurora A/B kinase inhibitors.
abstract: Nine novel 4-aminoquinazoline derivatives were designed and synthesized. Biochemical and cellular analyses demonstrated that most of the derivatives exhibited a strong activity to inhibit Aurora A and B kinases and to suppress the proliferation of a panel of human tumor cell lines (U937, K562, A549, LoVo, and HT29). Quantum chemical studies were also carried out to determine the structural features of these compounds engaged in the inhibition of Aurora kinases.
authors.affiliation: School of Biological Science & Medical Engineering, Southeast University, Nanjing 211189, China.
authors.forename: Ming
authors.initials: M
authors.lastname: Zheng
authors.forename: Youguang
authors.initials: Y
authors.lastname: Zheng
authors.forename: Yunsheng
authors.initials: Y
authors.lastname: Xue
authors.forename: Yi
authors.initials: Y
authors.lastname: Liu
authors.forename: Lin
authors.initials: L
authors.lastname: An
authors.forename: Ling
authors.initials: L
authors.lastname: Zhang
authors.forename: Min
authors.initials: M
authors.lastname: Ji
authors.forename: Bai
authors.initials: B
authors.lastname: Xue
authors.forename: Xuan
authors.initials: X
authors.lastname: Wu
authors.forename: Xuedong
authors.initials: X
authors.lastname: Gong
authors.forename: Ning
authors.initials: N
authors.lastname: Gu
authors.forename: Xi
authors.initials: X
authors.lastname: Zhan
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000633:toxicity; D064127:Aurora Kinases; D001665:Binding Sites; D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects; D019073:HT29 Cells; D006801:Humans; D020014:K562 Cells; D062105:Molecular Docking Simulation; D047428:Protein Kinase Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000633:toxicity; D017346:Protein Serine-Threonine Kinases / Q000037:antagonists & inhibitors* / Q000378:metabolism; D017434:Protein Structure, Tertiary; D011789:Quantum Theory; D011799:Quinazolines / Q000138:chemical synthesis / Q000737:chemistry* / Q000633:toxicity; D013329:Structure-Activity Relationship
chemical_list: C573775:4-aminoquinazoline; D000970:Antineoplastic Agents; D047428:Protein Kinase Inhibitors; D011799:Quinazolines; D064127:Aurora Kinases; D017346:Protein Serine-Threonine Kinases