AN ANALYSIS OF DOCKING STUDY ON TUBERCULOSIS INHIBITORS
Anuja Rangi, Saroj Rani, Savita Kumari, Sudhir Kumar, Manoj Giri · International Journal of Bioinformatics Research · 2010
In the present paper nine molecules has been docked in the Acyl-CoA carboxylase carboxyltransferase domain 5 (AccD5) at GLY-193, GLY-194, GLY-434, 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.