Table 2.
The selected 20 essential mycobacterial drug targets that were used for molecular modelling studies.
| Index | MTB Protein Target | Targeted pathway | PDB ID | References |
|---|---|---|---|---|
| 1 | Decaprenylphosphoryl‐β‐d‐ribofuranose oxidoreductase (DprE1) | Cell wall biosynthesis: arabinogalactan biosynthesis | 4P8C | 92,93,94 |
| 2 | Enyol-ACP-reductase, (InhA) | Cell wall biosynthesis: mycolic acid biosynthesis | 6R9W | 95 |
| 3 | Mycolic acid cyclopropane synthase (CmaA2) | Cell wall biosynthesis: mycolic acid biosynthesis | 1KPI | 96 |
| 4 | β-ketoacyl acyl carrier protein synthase I (KasA) | Cell wall biosynthesis: mycolic acid biosynthesis | 6P9L | 97 |
| 5 | Polyketide synthase (Pks13) | Cell wall biosynthesis: mycolic acid biosynthesis | 5V3Y | 98,99 |
| 6 | Enoyl-CoA hydratase 6 (EchA6) | Cell wall biosynthesis: mycolic acid biosynthesis | 5DUF | 100 |
| 7 | Transcriptional repressor of EthA monooxygenase (EthR) | Cell wall biosynthesis: mycolic acid biosynthesis (indirect) | 5EYR | 101 |
| 8 | Alanine racemase (alr) | Cell wall biosynthesis: peptidoglycan biosynthesis | 1XFC | 102 |
| 9 | MurE (Mur Ligase family) | Cell wall biosynthesis: peptidoglycan biosynthesis | 2WTZ | 103 |
| 10 | Bifunctional enzyme (GlmU) | Cell wall biosynthesis | 2QKX | 104 |
| 11 | 2-methylcitrate synthase (PrpC) or (GltA3) | Fatty Acid Biosynthesis | 3HWK | 105 |
| 12 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 (FabH) | Fatty acid biosynthesis | 1HZP | 97 |
| 13 | β-ketoacyl-ACP reductase (MabA) | Fatty Acid Biosynthesis | 1UZN | 106 |
| 14 | Aspartyl-tRNA Synthetase (AspS) | Protein synthesis | 5W25 | 107 |
| 15 | leucyl-tRNA synthase (LeuRS) | Protein synthesis | 5AGS | 108 |
| 16 | Protein kinase B (PknB) | Signal transduction | 5U94 | 109 |
| 17 | Protein kinase A (PknA) | Signal transduction | 6B2Q | 110 |
| 18 | Pantothenate kinase (PanK, type 1) | Cofactor biosynthesis: Coenzyme A biosynthesis | 4BFZ | 111 |
| 19 | 5′-pyridoxal phosphate (PLP)-dependent aminotransferase (BioA) | Cofactor biosynthesis: biotin biosynthesis | 4XJO | 112 |
| 20 | Aspartate aminotransferase (aspAT) | Asp biosynthesis, and Asp-dependent nitrogen metabolism | 6U7A | 113 |