Fig 4.

Predicted molecular interactions of four lead inhibitors with M.tb CdnP. Molecular docking of inhibitors C-13 (IC₅₀ 9.66 µM or 4 µg/mL), C-29 (IC₅₀ 14.2 µM or 6 µg/mL), C-33 (IC₅₀ 18.8 µM or 7.3 µg/mL), and C-34 (IC₅₀ 13.1 µM or 5.3 µg/mL) with the active site of CdnP. Predicted hydrogen bonds are shown by purple arrows, and the hydrophobic surfaces of the inhibitors are shaded in gray. For the enzyme active site, acidic residues and surfaces are colored orange, basic residues are purple, hydrophobic residues are green, and hydrophilic residues and surfaces are blue.