Homology Modeling of Salicyl-AMP ligase involved in Mycobacterium Tuberculosis

Authors

  • Yogesh N. Joshi  Department of Bioinformatics, Walchand Centre for Biotechnology, Walchand College of Arts and Science, Solapur, Maharashtra, India.
  • Shubham S. Gore  Department of Biotechnology, Walchand Centre for Biotechnology, Walchand College of Arts and Science, Solapur, Maharashtra, India.
  • Akshay S. Rajeshwar  Department of Bioinformatics, Walchand Centre for Biotechnology, Walchand College of Arts and Science, Solapur, Maharashtra, India.

Keywords:

Homology Modeling, In-Silico, Salicyl-AMP ligase, Tuberculosis, UniProtKB

Abstract

Tuberculosis (TB) is caused by Mycobacterium tuberculosis (strain ATCC 25618/H37Rv) that most often affect the lungs, but can also affect other parts of the body. A total of 1.5 million people died from TB in 2018 Worldwide. TB is spread from person to person through the air. The high prevalence of TB obligates the identification of new therapeutic targets and the development of anti TB vaccines that can control multidrug resistant and latent TB infection. Membrane protein has recently been suggested as key targets for bacterial viability. However, M. tuberculosis has a thick, waxy mycolic acid capsule that protects it from these toxic substances. Mycobacterium tuberculosis is able to reproduce inside the macrophage and will eventually kill the immune cell. Its treatments require the use of multiple antibiotics over long periods of time. Antibiotics resistance is a growing problem with increasing rates of multiple drug resistant tuberculosis (MDR-TB) and extensively drug resistant tuberculosis (XDR-TB). Subsequent work suggests that Salicyl-AMP ligase is involved in the initial steps of the mycobactin biosynthetic pathway. In the present study, we used different In-Silico tools and techniques which include retrieval of Salicyl-AMP ligase protein sequence from UniProt KB database and the sequence analysis was performed by using Protparam tool which concluded that the protein was unstable and basic in nature. The secondary structure was predicted by using PSI-PRED tool which indicated that the percentage of coils was higher than the percentage of alpha helix and extended strand. Then the 3D structure of Salicyl-AMP ligase was predicted by using SWISS MODEL server and the model was validated by using PROCHECK analysis tool. After validation of the model, the validation score was 90% indicating that the model was of good quality and the predicted 3D structure was deposited in protein model database (PMDB). Further study on Salicyl-AMP ligase protein can be carried out in molecular docking and in structure based drug designing (SBDD) to inhibit tuberculosis.

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International Journal of Scientific Research in Science and Technology

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0000-00-00

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Volume 7, Issue 1, January-February-2020

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Research Articles

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How to Cite

[1]
Yogesh N. Joshi, Shubham S. Gore, Akshay S. Rajeshwar, " Homology Modeling of Salicyl-AMP ligase involved in Mycobacterium Tuberculosis, International Journal of Scientific Research in Science and Technology(IJSRST), Online ISSN : 2395-602X, Print ISSN : 2395-6011, Volume 7, Issue 1, pp.108-113, January-February-2020.