. 2020 Aug 15;25(16):3723. doi: 10.3390/molecules25163723

Table 6.

Interaction analysis of screened hit molecules against LasR-LBD.

S. No.	Compound	Number of H Bonds	Interacting Atoms of Protein-Ligand Complex	Distance (Å)
1	Articaine	5	TRP 60…Lig(O)	2.64
			Lig(NH)…ASP 73	1.73
			TYR 56…Lig(O)	2.24
			SER 129…Lig(O)	2.06
			Lig(NH₂⁺)…ASP 73	2.01
2	Sulfamerazine	4	Lig(NH)…ASP 73	4.67
			TYR 56…Lig(O)	5.68
			Lig(NH₂)…TYR 93	5.71
			Lig(NH₂)…LEU 110	5.18
3	Sulfametopyrazine	4	SER 129…Lig(O)	2.00
			TYR 56…Lig(O)	1.82
			Lig(NH₂)…LEU 110	2.16
			Lig(NH₂)…TYR 93	2.26
4	Sulfapyridine	4	Lig(NH)…ASP 73	2.46
			TYR 56…Lig(O)	2.06
			Lig(NH₂)…LEU 110	2.52
			Lig(NH₂)…TYR 93	2.19
5	Sulfadiazine	5	Lig(NH)…ASP 73	2.25
			TYR 56…Lig(O)	1.70
			SER 129…Lig(O)	1.95
			Lig(NH₂)…TYR 93	1.88
			Lig(NH₂)…LEU 110	2.43
6	Sulfamethazine	5	Lig(NH)…ASP 73	1.80
			TYR 56…Lig(O)	2.58
			SER 129…Lig(O)	2.46
			Lig(NH₂)…ASP 65	2.74
			Lig(NH₂)…ARG 61	2.79