Thymol Reduces agr-Mediated Virulence Factor Phenol-Soluble Modulin Production in Staphylococcus aureus

Figure 4

Binding mode of AgrA and AgrC with thymol using molecular docking. Here, AgrA and AgrC are shown in the space fill model with gray color, while thymol is shown in the stick model with carbon in green and oxygen in red color. The ATP in AgrC is shown in the stick model and carbon in cyan, oxygen in red, and phosphorus in golden color. (a) Binding mode of thymol with AgrA at kinase domain. (b) 2D interactions of thymol with AgrA atoms. (c) The interactions of thymol with AgrC. (d) Interaction network of thymol with AgrC residues. Panel (b) and (d) show the residues with dark green color form conventional hydrogen bonding, light green form van der Waals forces, and pink form alkyl type of interactions with thymol.

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