AN ANALYSIS OF DOCKING STUDY ON TUBERCULOSIS INHIBITORS

Anuja Rangi¹, Saroj Rani², Savita Kumari³, Sudhir Kumar⁴, Manoj Giri⁵*
¹Department of Biotechnology, University Institute of Engineering & Technology Kurukshetra -136 119, Haryana, India.
²Department of Biotechnology, Seth Jai Prakash Mukund Lal Institute of Engineering & Technology, Radaur- 135 133, Haryana, India
³Department of Bioinformatics, Chaudhary Charan Singh Haryana Agricultural University, Hisar- 125 004, Haryana, India
⁴Department of Bioinformatics, Chaudhary Charan Singh Haryana Agricultural University, Hisar- 125 004, Haryana, India
⁵Departmnet of Applied Sciences, Haryana College of Technology & Management, Kaithal-136 027, Haryana, India
* Corresponding Author : manojgiri1@rediffmail.com

Received : -     Accepted : -     Published : 15-06-2010
Volume : 2     Issue : 1       Pages : 38 - 43
Int J Bioinformatics Res 2.1 (2010):38-43
DOI : http://dx.doi.org/10.9735/0975-3087.2.1.38-43

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.

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