Table 1.

Docking Score and Glide energy (in kcal/mol) of identified lead compounds against NSP15 (PDBID: 6VWW).

Compounds	Docking score (kcal/mol)	Glide energy (kcal/mol)	Interactions (D-H … A)
Z595015370	−10.50	−51.37	Ser294 (N–H⋯O) (N–H⋯O)Ser294 Lys290 (N–H⋯O) His235(N–H⋯O) Tyr343 (O–H⋯O) Leu346(N–H⋯O)
Z2228348553	−9.87	−50.03	(N–H⋯O)Tyr343 Gly248 (N–H⋯O) Lys290(N–H⋯O) Lys290(N–H⋯N) Leu346 (N–H⋯O) (O–H⋯O)Ser294 (O–H⋯O) Pro 344
Z1302426228	−9.68	−44.33	His235 (N–H⋯O) Gly248 (N–H⋯O) (O–H⋯N)His250 Lys290 (N–H⋯O) (N–H⋯O)Val 292
Z1343129850	−9.42	−40.01	(O–H⋯O)Tyr343 Leu346 (N–H⋯O) (N–H⋯O)Ser294 Ser294 (N–H⋯O) (O–H⋯N)His250 (O–H⋯O)Tyr343 Lys290 (N–H⋯O)
Z16215674	−9.07	−49.35	(N–H⋯O)Ser294 Ser294(N–H⋯O) Lys290 (N–H⋯O) Tyr343 (O–H⋯N)
Z2760938911	−8.65	−55.95	Ser294 (N–H⋯O) (O–H⋯O)Leu346 Tyr343 (O–H⋯O) (N–H⋯N)Lys290 His235 (N–H⋯O) Gly248 (N–H⋯O)
Z2239044677	−6.74	−60.19	Trp 333 (N–H⋯N) (N–H⋯O)Thr341 His235 (N–H⋯N) Lys290 (N–H⋯N) Lys290 (N–H⋯O) Leu346 (N–H⋯O)
Z56786758	−5.44	−56.21	Lys290 (N–H⋯O) His235 (N–H⋯O)