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. 2020 Oct 2;10:16438. doi: 10.1038/s41598-020-73442-0

Figure 9.

Figure 9

In silico molecular docking shows the binding interaction of serverogenin acetate ([3,12-diacetyloxy-10,14-dimethyl-13-oxo-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-yl] acetate) compound with bacterial target protein (5iwm) based on the binding energy generated by AutoDock program. (a) A hydrogen-bond interaction is formed by O26 in GLY341 (black arrow) in the serverogenin acetate compound. (b) A close-up view of serverogenin acetate compound that binds to the bacterial target protein. (c) Binding pose of the bacterial target protein with serverogenin acetate compound.