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. 2023 Jul 28;13:12224. doi: 10.1038/s41598-023-38652-2

Table 3.

Molecular docking scores of the bacterial quorum sensing pathway proteins SecA-SecY, LsrR, PqsR (MvfR), AgrA interaction via curcumin and ciprofloxacin, as the docked compounds.

Bacterial protein Organism PDB ID Ligand compound Binding affinity (kcal/mol)
SecA-SecY B. subtilis 6itc Curcumin − 6.6
Ciprofloxacin − 5.5
LsrR E. coli 4l5j Curcumin − 5.5
Ciprofloxacin − 4.3
PqsR (MvfR) P. aeruginosa 6yiz Curcumin − 7.8
Ciprofloxacin − 6.4
AgrA S. aureus 4g4k Curcumin − 6.0
Ciprofloxacin − 5.11