title: Discovering novel quercetin-3-O-amino acid-esters as a new class of Src tyrosine kinase inhibitors.
abstract: Quercetin-3-O-amino acid-esters, a new type of quercetin derivatives, were successfully prepared for the first time. Different from quercetin, the novel compounds show higher selectivity as inhibitors against Src tyrosine kinase (IC(50) values ranging from 3.2 microM to 9.9 microM) than against EGFR tyrosine kinase. Molecular docking reveals that both hydrophobic and hydrogen bonding interactions are important to the selectivity. Therefore, this study provides a new promising scaffold for further development of new anticancer drugs targeting Src tyrosine kinase.
authors.affiliation: Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, China.
authors.forename: He
authors.initials: H
authors.lastname: Huang
authors.forename: Qi
authors.initials: Q
authors.lastname: Jia
authors.forename: Jingui
authors.initials: J
authors.lastname: Ma
authors.forename: Guangrong
authors.initials: G
authors.lastname: Qin
authors.forename: Yingyi
authors.initials: Y
authors.lastname: Chen
authors.forename: Yonghua
authors.initials: Y
authors.lastname: Xi
authors.forename: Liping
authors.initials: L
authors.lastname: Lin
authors.forename: Weiliang
authors.initials: W
authors.lastname: Zhu
authors.forename: Jian
authors.initials: J
authors.lastname: Ding
authors.forename: Hualiang
authors.initials: H
authors.lastname: Jiang
authors.forename: Hong
authors.initials: H
authors.lastname: Liu
mesh_terms: D000596:Amino Acids; D000970:Antineoplastic Agents / Q000737:chemistry; D000975:Antioxidants / Q000737:chemistry*; D003198:Computer Simulation; D055808:Drug Discovery; D006801:Humans; D006860:Hydrogen Bonding; D057927:Hydrophobic and Hydrophilic Interactions; D020128:Inhibitory Concentration 50; D011485:Protein Binding; D047428:Protein Kinase Inhibitors / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D011794:Quercetin / Q000737:chemistry*; D019061:src-Family Kinases / Q000037:antagonists & inhibitors*
chemical_list: D000596:Amino Acids; D000970:Antineoplastic Agents; D000975:Antioxidants; D047428:Protein Kinase Inhibitors; D011794:Quercetin; D019061:src-Family Kinases