Studies on the interaction between triazole derivative and human serum albumin by spectroscopy and molecular modeling

The interaction between 1-benzyl- 4-phenyl- 1H- 1,2,3-triazole( BPT) and human serum albumin( HSA) was investigated by spectroscopic methods and the molecular modeling technique. Synchronous fluorescence and three-dimensional fluorescence spectroscopy suggested perturbation in the structure of HSA in the presence of BPT and an increase in the hydrophobicity around the fluorophore in HSA. Molecular modeling indicated that the binding of BPT to HSA was most likely located within a hydrophobic cavity of subdomain IIA.The results of molecular modeling revealed that there were hydrogen bonds between Arg222 and BPT.