Photobehavior and docking simulations of drug within macromolecules: Binding of an antioxidative isoquinolindione to a serine protease and albumin proteins.

Highlights: [•] Modulation of photophysics in proteolytic globular enzyme and serum albumins. [•] Binding affinity of ANAP with albumins is much greater than trypsin. [•] Efficiency tunable FRET from excited Trp to ANAP. [•] Docking simulations of drug within biomolecules. [•] Hydrophobicity driven association of ANAP ensues for distinctive micropolarities in proteinous assembly. [ABSTRACT FROM AUTHOR]