title: Study on Interaction between 5-Bromo-4-thio-2'-deoxyuridine and human serum albumin by spectroscopy and molecular docking.
abstract: The interaction between 5-Bromo-4-thio-2'-deoxyuridine (4-SBrdU) and human serum albumin (HSA) was investigated by the methods of UV-vis absorbance, fluorescence and circular dichroism (CD) spectroscopy and molecular docking under simulative physiological conditions. The results showed that the quenching mechanism of HAS by 4-SBrdU was dynamic fluorescence quenching, hydrophobic interaction was the main intermolecular force based on thermodynamic data, the fluorescence experimental results were in agreement with results obtained by the molecular docking study.
authors.affiliation: College of Environment and Chemical Engineering, Dalian University, Dalian, Liaoning 116622, China. Electronic address: xiaohui99@hotmail.co.uk.
authors.forename: Xiaohui
authors.initials: X
authors.lastname: Zhang
authors.affiliation: College of Environment and Chemical Engineering, Dalian University, Dalian, Liaoning 116622, China.
authors.forename: Ruiqi
authors.initials: R
authors.lastname: Gao
authors.affiliation: College of Environment and Chemical Engineering, Dalian University, Dalian, Liaoning 116622, China.
authors.forename: Depeng
authors.initials: D
authors.lastname: Li
authors.affiliation: College of Environment and Chemical Engineering, Dalian University, Dalian, Liaoning 116622, China.
authors.forename: Hongyan
authors.initials: H
authors.lastname: Yin
authors.affiliation: MOE Key laboratory of Laser Life Science, College of Biophotonics, South China Normal University, Guangzhou, Guangdong 510631, China.
authors.forename: Juling
authors.initials: J
authors.lastname: Zhang
authors.affiliation: College of Bioengineering, Dalian University, Dalian, Liaoning 116622, China.
authors.forename: Hongyu
authors.initials: H
authors.lastname: Cao
authors.affiliation: College of Bioengineering, Dalian University, Dalian, Liaoning 116622, China.
authors.forename: Xuefang
authors.initials: X
authors.lastname: Zheng
mesh_terms: D001665:Binding Sites; D001973:Bromodeoxyuridine / Q000737:chemistry / Q000493:pharmacokinetics; D002942:Circular Dichroism; D006801:Humans; D057927:Hydrophobic and Hydrophilic Interactions; D062105:Molecular Docking Simulation; D011485:Protein Binding; D011487:Protein Conformation; D000075462:Serum Albumin, Human / Q000737:chemistry* / Q000378:metabolism*; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D013891:Thiouridine / Q000031:analogs & derivatives / Q000737:chemistry / Q000493:pharmacokinetics
chemical_list: D013891:Thiouridine; C004274:4-thio-2'-deoxyuridine; D001973:Bromodeoxyuridine; D000075462:Serum Albumin, Human
keywords: 5-Bromo-4-thio-2′-deoxyuridine (4-SBrdU); Fluorescence spectroscopy; Human serum albumin (HSA); Molecular docking; Nucleoside