Table 2.

Final screened molecules with residues involved in the hydrogen binding and binding energy

S. no.	ZINC ID	Hydrogen bonds	Residues involved	Binding energy	KI (µM)
1	ZINC03869685	8	GLY13, ILE20, ALA21, SER93, SER148, LYS 166	− 7.15	5.71
2	ZINC05842416	3	THR155, MET209, SER191	− 7.02	7.1
3	ZINC05765089	2	VAL14, GLY95	− 7.34	4.18
4	ZINC03871576	5	ILE195, ALA97, TYR159	− 7.4	3.77
5	ZINC02030112	2	ILE20, LYS166	− 7.11	6.19
6	ZINC01721693	5	ALA192, ILE195, TYR159, MET162	− 6.75	11.27
7	ZINC00001785	2	ILE195	− 7.31	4.41
8	ZINC14815320	2	ALA192, LYS166	− 6.61	14.17
9	Triclosan	1	ILE195	− 6.7	12.35