Interaction of 2-(9H-purin-6-ylamino)-4-(methylthio) butanoic acid with human serum albumin: fluorescence and modeling studies.
This study was designed to investigate the interaction between (S)-2-(9H-purin-6-ylamino)-4-(methylthio) butanoic acid (PYMBA) and human serum albumin (HSA) using fluorescence spectroscopy. The combination of UV absorption and molecular docking under simulative physiological conditions was also applied to comprehensively understand the binding mechanism of PYMBA to HSA. Fluorescence data indicated that PYMBA has a strong ability to quench the intrinsic fluorescence of HSA. The binding constants (K) at different temperatures, thermodynamic parameters including enthalpy change (DeltaH) and entropy change (DeltaS) of PYMBA-HSA were correlated to the relevant fluorescence data, which suggested that the hydrophobic force played a very important role for the PYMBA binding to the HSA. The experimental results were in agreement with the results obtained via a molecular docking study. The effects of other ions on the binding constants were also studied.
School of Chemistry and Environmental Science, Key Laboratory for Yellow River and Huai he River Water Environment and Pollution Control Ministry of Education, Henan Normal University, Xinxiang 453007, P. R. China. cuifl718@hotmail.com
Fengling
F
Cui
Yinghua
Y
Yan
Qiangzhai
Q
Zhang
Juan
J
Du
Xiaojun
X
Yao
Guirong
G
Qu
Yan
Y
Lu
D000225:Adenine / Q000031:analogs & derivatives* / Q000737:chemistry / Q000378:metabolism; D020148:Butyric Acid / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D008715:Methionine / Q000031:analogs & derivatives* / Q000737:chemistry / Q000378:metabolism; D008958:Models, Molecular; D008968:Molecular Conformation; D011485:Protein Binding; D012709:Serum Albumin / Q000737:chemistry / Q000378:metabolism*; D013050:Spectrometry, Fluorescence / Q000379:methods*; D013056:Spectrophotometry, Ultraviolet
C556402:2-(9H-purin-6-ylamino)-4-(methylamino)butanoic acid; D012709:Serum Albumin; D020148:Butyric Acid; D008715:Methionine; D000225:Adenine