Table 2. Binding affinity and interactions of in silico potential molecules against NF-κB (1BFT) .

Ligands	Binding affinity (kcal/mol)	Amino acids involved and Distance (A°)
		Hydrogen binding interactions	Hydrophobic interactions	Electrostatic interactions
Epigallocatechin gallate	-6.8	ARG A:201 (3.03), SER A:203 (3.57), ASP A:210 (3.83), ASN A:200 (4.40).	ARG A:201 (4.78), ARG A:201 (5.30)	-
Trimethoxy Flavone	-6.0	ARG B:201 (4.01), GLU B: 211 (3.93)	ARG A:201 (6.06)	ARG B:253 (7.27)
Mesalazine	-4.8	CYS A:197 (3.43), VAL B:244 (4.58), ALA B:242 (4.72), ARG B: 246 (5.05), HIS B:245 (3.56)	ARG A:198 (6.05), CYS A:197 (5.56), HIS A:245 (4.35)	-