An analysis of docking study on tuberculosis inhibitors (original) (raw)
2010, International Journal
In the present paper nine molecules has been docked in the Acyl-CoA carboxylase carboxyltransferase domain 5 (AccD5) at , ALA-435 pocket with very low energies. Six binding site on the crystallographic structure of AccD5 are examined with the structure-based design program DOCK. The active compounds found are polycyclic (aromatic as well as aliphatic) and nitrogen heterocyclic. Each molecule gave a good number of conformations showing the flexible behavior of the ligand. The total energy of receptor-ligand complexes has also been calculated.
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