Author(s): Sriroopreddy R, Raghuraman.P, Reena Rajkumari. B

Email(s): b.reenarajkumari@vit.ac.in

DOI: 10.5958/0974-360X.2018.00238.X   

Address: Sriroopreddy R1, Raghuraman.P1, Reena Rajkumari. B2*
1Department of Biotechnology, School of Bio Sciences and Technology, VIT University, Vellore – 632014, Tamil Nadu, India.
2Department of Integrative Biology, School of Bio Sciences and Technology, VIT University, Vellore – 632014, Tamil Nadu, India.
*Corresponding Author

Published In:   Volume - 11,      Issue - 4,     Year - 2018


ABSTRACT:
Tuberculosis, a transmittable killer disease caused by Mycobacterium tuberculosis whose pathogenesis is poorly understood. The treatment available for the anti-mycobacterial activity has poor observance because of the uprising of the drug resistance strains resulted by the prolonged treatment giving the chance to the microbe to develop resistance. Hence, there is an urgent need to identify novel compounds from marine sources which are having antimicrobial activity. GABA-AT is an important enzyme involved in GABA shunt pathway of TCA cycle which has a role in virulence of Mycobacterium tuberculosis as it is a PLP dependent enzyme. In this present study, the 3D structure of GABA-AT was generated by using SWISSMODEL and validated using various methods. The model generated was validated and secondary structural analysis was predicted using YASPIN. Thereafter, the active site was predicted and further used the residues for docking. The acquired model was docked with the known inhibitors of GABA-AT and marine compounds having anti-tuberculosis activity. The comparative analysis of protein ligand interaction between known inhibitor and marine compounds were studied. Among them, Heteronemin has the best binding energy (-9.19Kcal/mol) which indicates that the marine compound can be used for inhibiting the activity of GABA-AT in Mycobacterium tuberculosis and can be proposed as valuable drug candidate.


Cite this article:
Sriroopreddy R, Raghuraman.P, Reena Rajkumari. B. Modeling and Docking Study of GABA-AT Protein in Mycobacterium Tuberculosis - A Computational Approach. Research J. Pharm. and Tech 2018; 11(4):1283-1288. doi: 10.5958/0974-360X.2018.00238.X

Cite(Electronic):
Sriroopreddy R, Raghuraman.P, Reena Rajkumari. B. Modeling and Docking Study of GABA-AT Protein in Mycobacterium Tuberculosis - A Computational Approach. Research J. Pharm. and Tech 2018; 11(4):1283-1288. doi: 10.5958/0974-360X.2018.00238.X   Available on: https://rjptonline.org/AbstractView.aspx?PID=2018-11-4-2


Recomonded Articles:

Research Journal of Pharmacy and Technology (RJPT) is an international, peer-reviewed, multidisciplinary journal.... Read more >>>

RNI: CHHENG00387/33/1/2008-TC                     
DOI: 10.5958/0974-360X 

1.3
2021CiteScore
 
56th percentile
Powered by  Scopus


SCImago Journal & Country Rank


Recent Articles




Tags


Not Available