Selective binding of pyrene in subdomain IB of human serum albumin: Combining energy transfer spectroscopy and molecular modelling to understand protein binding flexibility

The in-vitro binding of pyrene in human serum albumin was investigated spectroscopically and the evidences depicted that pyrene is bound in subdomain IB in the monomeric form. The findings coincide with the in-silico studies using ligand docking and molecular dynamics simulation.171