Identification of Concomitant Inhibitors against Glutamine Synthetase and Isocitrate Lyase in Mycobacterium tuberculosis from Natural Sources

Figure 4

Ligand R.M.S.D.: Root-Mean-Square Deviation of ligands concerning the reference conformation. The radius of Gyration (rGyr): Representation of the “extendedness” of the ligands. Molecular Surface Area (M.S.A.): Molecular surface calculation with 1.4 Å probe radius. This value is reciprocal to a Van der Waals surface area. Solvent Accessible Surface Area (S.A.S.A.): The surface area of the respective ligands accessible by a water molecule is presented. Polar Surface Area (P.S.A.): Solvent accessible surface area in the ligands contributed only by oxygen and nitrogen atoms. (a) Azadiradione in complex with 2WGS. (b) Azadiradione in complex with 1F61.

(a)

(b)