Title

Authors

Affiliation

¹Department of Biotechnology and Bioinformatics, North Eastern Hill University, Shillong-793022, Meghalaya; ²Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai-600025, Tamil Nadu.

Email

atanubioinfo@gmail.com; *Corresponding author

Article Type

Hypothesis

Date

Received June 23, 2012; Accepted June 26, 2012; Published July 21, 2012

Invulnerability of Mycobacterium tuberculosis to various drugs and its persistency has stood as a hurdle in the race against eradication of the pathogenecity of the bacteria. Identification of novel antituberculosis compounds is highly demanding as the available drugs are resistant. The ability of the bacteria to surpass the body’s defenses and adapt itself to survive for disease reactivation is contributed by secreted proteins called resuscitating promoting factors (Rpfs). These factors aid in virulence and resuscitation from dormancy of the bacteria. Sequence analysis of RpfB was performed and compounds were first screened for toxicity and high-throughput virtual screening eliminating the toxic compounds. To understand the mechanism of ligand binding and interaction, molecular docking was performed for the compounds passing through the filter resulting with better docking studies predicting the possible binding mode of the inhibitors to the protein. Of all the active residues the binding conformation shows that residues Arg194, Arg196, Glu242, and Asn244 of the RpfB protein play vital role in the enzyme activity and interacts with the ligands. Promising compounds have been identified in the current study, thus holding promise for design of anti-tuberculosis drugs.

Keywords

Resuscitating promoting factor B, Mycobacterium tuberculosis, molecular docking

Citation

Mylliemngap et al. Bioinformation 8(14): 646-651 (2012)
 

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.