Production of kojic acid by Aspergillus flavus OL314748 using box-Behnken statistical design and its antibacterial and anticancer applications using molecular docking technique

Table 2 Tested compounds DG (kcal/mol) against the tyrosinase crystal structure and NFK_b crystal structure via target sites PDB (ID: 6EI4) and (ID:5T8P), respectively

Ligand	RMSD value (Å)	Docking score (kcal/mol)	Interactions
			H.B	Pi-interactions
Tyrosinase crystal structure
Crystal ligand (B5N)	1.22	−6.56	1	6
Kojic acid	1.12	−6.98	3	0
NFK_b crystal structure
Crystal ligand (benzoxepine)	0.66	−5.71	2	12
Kojic acid	0.89	−5.49	3	2

ISSN: 1471-2180