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. 2019 Sep 11;9(49):28678–28687. doi: 10.1039/c9ra05725k

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