Table 2.

Intermolecular interaction of four complexes in complex with the protein (a) compound 1, (b) compound 2, (c) compound 3, (d) compound 4 and (e) control compound.

S no	Complex	H-bond	Hydrophobic	π–π stacking/π–π cation*
1	Compound 1	Arg355	Phe363, Ser337, His432, Ser324, Met431, Asn429, Arg332, Phe404	Phe323, His357
2	Compound 3	–	Glu361, Arg332, Ser337, Phe363, Phe404, Asn429, Ser324	Phe323, His357, Phe325
3	Compound 4	His357	His432, Arg332, Ser337, Glu361, Lys376, Gln406, Ile354, Lys353, Glu341	Phe323
4	Control	Glu361, Ser324	His432, Phe325, Arg332, Ser337, Phe363, Lys376, Phe404	Phe323