Fig. 9

Binding free energy calculations using MM-PBSA tool for the potential small molecule inhibitor compounds along with the control. Colour coding is represented in the figure. Ng-LdcA 1st ligand = compound -16, 2nd = compound -37, 3rd = compound -69. Ng-LtgD 1st ligand = compound -45, 2nd = compound -52, 3rd = compound -69