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

Figure 4

(a) Blind docking of selected compounds from fruit of Spondias mombin against LasR. Benzyl benzoate, (E)-ethyl cinnamate, geraniol, methyleugenol, terpineol, and linalool were bound in the ligand-binding domain while n-hexadecanoic acid, cis vaccenic acid, a-amyrin, and caryophyllenyl alcohol were outside the ligand-binding domain. (b) 3D interaction of benzyl benzoate with pocket residues of LasR. (c) 3D interaction of (E)-ethyl cinnamate with pocket residues of LasR.

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