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An analysis of docking study on tuberculosis inhibitors

Keywords: Docking , AccD5 , TB , Vanderwall & electrostatic energy

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In the present paper nine molecules has been docked in the Acyl-CoA carboxylasecarboxyltransferase domain 5 (AccD5) at GLY-193, GLY-194, GLY-434, ALA-435 pocket with very lowenergies. Six binding site on the crystallographic structure of AccD5 are examined with the structure-baseddesign program DOCK. The active compounds found are polycyclic (aromatic as well as aliphatic) andnitrogen heterocyclic. Each molecule gave a good number of conformations showing the flexible behavior ofthe ligand. The total energy of receptor-ligand complexes has also been calculated.


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