25-08-2017, 09:32 PM
Tuberculosis (TB) remains the leading cause of mortality due to the bacterial pathogen, Mycobacterium tuberculosis. Crystallographic structure for enzyme DNA gyrase B (one of the potential target for TB) of Mycobacterium tuberculosis is not available. Homology model for the predicted active site of this enzyme was developed by using X-crystallographic structure of DNA gyrase B of E.coli as template.
Tuberculosis (TB) remains the leading cause of mortality due to the bacterial pathogen, Mycobacterium tuberculosis. Crystallographic structure for enzyme DNA gyrase B (one of the potential target for TB) of Mycobacterium tuberculosis is not available. Homology model for the predicted active site of this enzyme was developed by using X-crystallographic structure of DNA gyrase B of E.coli as template.
Energy minimization and validation of the developed homology model have been done in order to enhance the quality of the homology model predicted. Docking studies on the developed model has also been carried out for reported inhibitors on this enzyme. This model will help in designing of new anti-mycobacterial agents.