title: Interaction of human serum albumin with novel imidazole derivatives studied by spectroscopy and molecular docking.
abstract: This study was a detailed characterization of the interaction of a series of imidazole derivatives with a model transport protein, human serum albumin (HSA). Fluorescence and time-resolved fluorescence results showed the existence of a static quenching mode for the HSA-imidazole derivative interaction. The binding constant at 296 K was in the order of 10(4) M(-1), showing high affinity between the imidazole derivatives and HSA. A site marker competition study combined with molecular docking revealed that the imidazole derivatives bound to subdomain IIA of HSA (Sudlow's site I). Furthermore, the results of synchronous, 3D, Fourier transform infrared, circular dichroism and UV-vis spectroscopy demonstrated that the secondary structure of HSA was altered in the presence of the imidazole derivatives. The specific binding distance, r, between the donor and acceptor was obtained according to fluorescence resonance energy transfer.
authors.affiliation: Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, Henan Normal University, Xinxiang, People's Republic of China.
authors.forename: Yuanyuan
authors.initials: Y
authors.lastname: Yue
authors.affiliation: Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, Henan Normal University, Xinxiang, People's Republic of China.
authors.forename: Yangyang
authors.initials: Y
authors.lastname: Sun
authors.affiliation: Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, Henan Normal University, Xinxiang, People's Republic of China.
authors.forename: Qiao
authors.initials: Q
authors.lastname: Dong
authors.affiliation: Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, Henan Normal University, Xinxiang, People's Republic of China.
authors.forename: Ren
authors.initials: R
authors.lastname: Liu
authors.affiliation: Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, Henan Normal University, Xinxiang, People's Republic of China.
authors.forename: Xuyang
authors.initials: X
authors.lastname: Yan
authors.affiliation: Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, Henan Normal University, Xinxiang, People's Republic of China.
authors.forename: Yajie
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, Henan Normal University, Xinxiang, People's Republic of China.
authors.forename: Jianming
authors.initials: J
authors.lastname: Liu
mesh_terms: D002942:Circular Dichroism; D006801:Humans; D007093:Imidazoles / Q000737:chemistry*; D062105:Molecular Docking Simulation; D012709:Serum Albumin / Q000737:chemistry*; D013056:Spectrophotometry, Ultraviolet; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D007093:Imidazoles; D012709:Serum Albumin
keywords: human serum albumin; imidazole derivatives; molecular modeling; quenching mechanisms