Effect of Moderate UVC Irradiation on Bovine Serum Albumin and Complex with Antimetabolite 5-Fluorouracil: Fluorescence Spectroscopic and Molecular Modelling Studies

Table 4

Glide energy, docking score, and hydrogen bond interaction of the ligands with key residues.

Compounds	Hydrogen bond; D–H⋯A	Distance Å	Docking score (kcal/mol)	Glide energy (kcal/mol)
5-FU; docked with; 3V03	(TYR156)O–H⋯O; (GLU291)N–H⋯O; O–H⋯O(SER191); (ARG198)N–H⋯F; (ARG198)N–H⋯O	2.84; 2.67; 3.00; 3.10; 2.90	−4.15	−29.22
5-FU; docked with; 4F5S	(TRP213)N-H⋯F; N-H⋯O(SER343); (VAL342)N-H⋯O; (ARG217)N-H⋯O	2.86; 2.92; 2.97; 3.11	−6.18	−27.73