Table 6.

Binding affinities and bonds formed between the top three compounds and LasR protein.

Compounds	Binding Score (kcal/mol)	Total Bonds	Hydrogen Bonds	Other Significant Bonds
Azithromycin	−6.3	16	4 (Lys16, Ser20, Glu48, Gly54)	-
Cinnamaldehyde	−7.4	13	-	4 (Trp88, Phe101, Ala105, Leu110)
Phylloquinone	−9.4	29	3 (Tyr56, Trp60, Ser129)	12 (Leu40, Tyr47, Ala50, Tyr64, Ala70, Asp73, Val76, Cys79, Leu105, Leu110, Leu125, Ala127)
Linoleic acid	−8.5	24	-	13 (Leu36, Leu40, Tyr47, Ala50, Ile52, Tyr56, Trp60 Ala70, Val76, Phe101, Leu110, Leu1250
Oleic acid	−8.2	25	-	13 (Leu36, Leu40, Tyr47, Ala50, Ile52, Tyr56, Trp60, Ala70, Val76, Phe101, Leu110, Leu125)