Molecular docking analysis. Residues of hydrocinnamic acid and 3-Oxo-C12 HSL interacting with LasR receptor protein through various interactions.
Compound name | Docking score kcal mol−1 | Hydrogen bond | Hydrophobic interactions | Glide-Emodel score kcal mol−1 |
---|---|---|---|---|
3-Oxo-C12 HSL | −6.928 | Tyr 56, Asp 73, Thr 75 | Leu 36, Leu 40, Try 47, Arg 61, Tyr 64, Val 70, Val 76, Trp 88, Tyr 93, Ala 105, Phe 101, Leu 110, Ser 129 | −73.830 |
Hydrocinnamic acid | −6.356 | Tyr 56, Ser 129, Asp 73 | Leu 36, Val 76, Trp 60, Tyr 64, Leu 110, Thr 75, Ala 105, Tyr 93, Trp 88, Ile 92 | −37.393 |