Table 2.

Docking Scores and MM-GBSA Binding Free Energy of the Top Scoring Compounds with Enoyl-Acyl Carrier Protein Reductase (FabI) (PDB ID: 3GR6) and the Transcriptional Activator Enzyme LasR-TP4 Complex (PDB ID: 3JPU)

Compound Character		Diisooctyl Phthalate	Stigmasterol	Sucrose	Hydroxy-propenyl-methoxy-phenol	Dopamine, N, N dimethyl-dimethyl Ether	4-O-Methylmanose
Designated number		1	2	3	4	5	6
PubChem ID		33934	5,280,794	3,036,169	1,549,095	355,506	345716
Area%		2.39	2.08	8.09	1.41	43.76	23.72
3GR6	Docking scores	−6.142	−1.872	−10.843	−6.218	−3.279	−7.14
	MMGBSA dG Bind	−56.46	−42.41	−59.54	−39.53	−39.11	−27.42
3JPU	Docking scores	−10.025	−9.127	−8.623	−7.092	−7.722	−6.019
	MMGBSA dG Bind	−70.16	10.34	−66.26	−40.67	−59.26	−18.67