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. 2021 Nov 24;22(23):12699. doi: 10.3390/ijms222312699

Figure 5.

Figure 5

In silico molecular docking analysis. (A) The active sites of LasR CBD (PDBID:6D6A) docked with wogonin, including Ala, Ser, Gln, Leu, Lys, and Ser, and the binding energy is −2.44 kcal/mol. (B) The active sites of PqsR CBD (PDBID: 4JVI) docked with wogonin, including Ala, Arg, Ile, Pro, Val, and Gln, and the binding energy is −4.49 kcal/mol. 3D and 3D partial enlarged graphics were exhibited from left to right. Molecular docking was performed using Autodock Vina v.1.1.2, and graphics were generated with PyMOL v2.4.1 software.