Structural effects on the conformational transition of transferrin induced by binding of flavonoids with different numbers and positions of hydrozyl groups
The effects of conformational changes to transferrin induced by the binding of flavonoids with different numbers and positions of hydroxyl groups were explored using spectroscopic and molecular modeling methods. The flavonoid hydroxyl group is not necessary for conformation changes of transferrin. However, the binding ability was found to increase with increasing numbers of hydroxyl groups and further conformational changes were observed. By molecular modeling calculations, intermolecular energy including van der Waals and electrostatic interactions, together with hydrogen bonding are found to have important roles in binding of flavonoids to transfcrrin. Additionally, the positions of the hydroxyl groups also affect the binding ability because they can alter the relative acidity of the hydroxyl groups, thereby changing the hydrogen bonding ability. Our results have indicated a mechanism for the interactions between flavonoids and transferrin, and provide information for possible flavonoid modification and design of methods to deliver drug molecules via transferrin to target tissues and cells effectively.
Transfcrrin Flavonoid Hydrogen bonding Conformational transition
Hongyan Dua Junfeng Xiang Yazhou Zhang Junfeng Xiang Yalin Tang Guangzhi Xu
Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chem Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chem Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chem Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chem
国际会议
广州
英文
116-123
2008-11-01（万方平台首次上网日期，不代表论文的发表时间）