TABLE 3.

The table indicates the Glide docking score and the MMPBSA score summary of the top shortlisted molecules.

Sr No.	Name of compound	Code used	Glide score	MMPBSA score
1	ZINC12113810	1	−10.4	−48.78
2	ZINC12370930	2	−10.35	−12.30
3	ZINC04338236	3	−10.34	−32.50
4	ZINC08548500	4	−10.06	−45.47
5	ZINC26330579	5	−10.03	−46.78
6	ZINC98100095	6	−10.03	−39.83
7	ZINC89797427	7	−9.95	−41.48
8	ZINC02278530	8	−9.91	−42.47
9	ZINC22111451	9	−9.85	−39.07
10	ZINC69924561	10	−9.84	−47.56
11	BX795	CNT	−9.64	−47.11