Error in Table and Figure Description
In the original publication [1], there were mistakes in Table 1 as published. Firstly, the molecular structures of screened compound ID 2 (Naldemedine) and compound ID 4 (Norgestrel) were described incorrectly. Secondly, compound ID 8 (Doxycycline) was inconsistent with the structure in Figure S8. The correct name of compound 8 is Simeprevir. The corrected Table 1, along with corresponding corrections in the Table S1 and Figure S8 descriptions, are provided below. The authors state that the scientific conclusions are unaffected. This correction was approved by the Academic Editor. The original publication has also been updated.
Table 1.
The molecular docking results indicate that the top 12 drugs have binding energies below −9.0 kcal/mol. The positive and negative controls are depicted in the final two lines. The occupied sites correspond to the binding sites of LPXTG, as shown in Figure 1c.
Table S1.
Binding sites of 12 screened drugs and two controls. Residues marked in red are the functional sites of SrtA, as indicated in Figure 1c.
Figure S8.
Analysis of the binding pose of Simeprevir with SrtA. (a) The structure of the complex. Three-dimensional (b) and two-dimensional (c) interaction diagrams of the binding pose of Simeprevir with SrtA.
Reference
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