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Table 2 Docking values of PA-824 and its novel analogues with the wild and mutant Ddn receptor

From: Bactericidal activity of PA-824 against Mycobacterium tuberculosis under anaerobic conditions and computational analysis of its novel analogues against mutant Ddn receptor

S.no. Drug Docking score with wild type receptor (kcal/mol) Docking score with A76E mutant receptor (kcal/mol) Structure of the analogues
1 PA-824 −6.9 −6.7
2 Ligand 1 (glucose) −7.6 −7.0
3 Ligand 2 (Nitroglucose) −7.6 −7.2
4 Ligand 3 (Hydroxyl modification) −6.3 −6.3
5 Ligand 4 (Biotin) −7.1 −6.7
6 Ligand 5 (Cholestryl ester) −8.3 −6.9
7 Ligand 6 (gati) −8.4 −8.1
8 Ligand 7 (isoniazid) −7.8 −7.5
9 Ligand 8 (Moxi) −7.7 −8.5
10 Ligand 9 (PZA) −7.2 −7.2
11 Ligand 10 (Trehalose) −8.0 −7.7