Essential Oils from the Fruits and Leaves of Spondias mombin Linn.: Chemical Composition, Biological Activity, and Molecular Docking Study

Figure 5

(a) Blind docking of selected compounds from leaves of Spondias mombin against LasR. 2-hexan-1-ol, 2-methoxy-4-vinylphenol, and methyl salicylate were bound at the active site while heptacosane, humulene, caryophyllene, longifolene, n-hexadecanoic, and aromadendrene oxide were outside the ligand-binding domain. (b) 3D interaction of 2-methoxy-4-vinylphenol with pocket residues of LasR. (c) 3D interaction of methyl salicylate with pocket residues of LasR.

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