Table 3.
Top four hits identified Against Target MurB enzyme and their interacting residues.
| Hit ID | Compound ID and Structure | G-Score (Kcal/mol) | H-Bond | Hydrophobic Interactions |
|---|---|---|---|---|
| Hit 1 |  |
−11.8 | Tyr 210 Asn 261 Lys 294 |
Glu 145 Asn 261 Tyr 287 Pro 288 Ala 296 |
| Hit 2 |  |
−13.0 | Arg 176 Tyr 210 Ser 257 Asn 261 Glu 302 Ala 325 Glu 361 |
Ile 127 Ile 127 Val 139 Ala 141 Tyr 175 Tyr 210 |
| Hit 3 |  |
−11.5 | Tyr 175 Arg 176 Arg 176 Ser 257 Asn 261 His 324 |
Tyr 210 Tyr 287 Ala 296 |
| Hit 4 |  |
−11.6 | Asn 261 Val 284 His 286 Gly 298 |
Tyr210 Pro283 Pro287 |