Table 3.

The binding affinities (kcalmol⁻¹) and molecular interactions of the selected compounds with active site residues of NTD.

S. No.	Compound	Binding energy (kcalmol–1)
		AutoDock VINA	AutoDock Tool
1	GMP	−5.5	−2.6
2	ZINC000257324845	−8.3	−7.4
3	ZINC000005169973	−8.1	−6.4
4	ZINC000009913056	−8.0	−5.6