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. 2018 May 7;23(5):1106. doi: 10.3390/molecules23051106

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© 2018 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Predicted interactions for ligands 13 and 23 in the binding pocket of LasR compared to N-(3-oxododecanoyl)-l-homoserine lactone 3 (OdDHL) (3). (A) Compound 13 shows OdDHL-like interactions and orientation. Hydrogen bonds are in pink. OdDHL is in yellow. (C) Compound 23 shows a flipped orientation relative to the lactone ring of OdDHL. (B,D) describe the interactions of 13 and 23 with LasR. Hydrogen bonds are green. Halogen interactions are blue. Hydrophobic and electrostatic interactions are red.