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Abstract                 Volume:4  Issue-9  Year-2016          Original Research Articles


Online ISSN : 2347 - 3215
Issues : 12 per year
Publisher : Excellent Publishers
Email : editorijcret@gmail.com

Designing of Novel Inhibitors of Mycobacterium Tuberculosis H37Rv by Pharmacophore based Drug Designing and its Evaluation
Faizan Ahmad1*, Kaushal K. Chandrul2, Huma Naz3 and Neeraj Tandan4
1Department of Biotechnology, Shri Venkateshwara University Gajraula, Amroha, UP, India
2School of Pharmaceutical Science, Shri Venkateshwara University Gajraula, Amroha, UP, India
3Faculty of Agricultural Sciences, Aligarh Muslim University, Aligarh, U.P., India
4Scientific & Applied Research Centre, Meerut, UP, India
*Corresponding author
Abstract:

The growing frequency of drug-resistant tuberculosis, which is resistant to valuable multiple antibiotic, presents a major global health warning. Filamenting temperature-sensitive mutant gene-Z (FtsZ) a tubulin homologue involved in bacterial cell division is considered an attractive target for the development of effective antibiotics against tuberculosis. In this study, we attempted to identify novel ZINC compounds that specifically target the M. tuberculosis H37Rv, FtsZ protein and docked on the FtsZ protein crystal Structure (PDB Id: 1RLU, resolution 2.08 Å). We have developed a pharmacophore model based on the already existing drugs and drug candidates with PHASE module of Schrodinger. This pharmacophore was used to screen against the prepared fragment-like and drug-like natural compound dataset (ZINC database) with altogether different scaffold using high throughput virtual screening and docking studies. Finally, we have reported eight top scoring compounds which possess high affinity for active site of FtsZ protein as well as showed the highest docking score and H-bond interaction and thus, can be considered as potential FtsZ inhibitors for the treatment of tuberculosis.

Keywords: Tuberculosis, FtsZ protein, Pharmacophore, ZINC database, Schrodinger and Docking study.
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How to cite this article:

Faizan Ahmad, Kaushal K. Chandrul, Huma Naz and Neeraj Tandan. 2016. Designing of Novel Inhibitors of Mycobacterium Tuberculosis H37Rv by Pharmacophore based Drug Designing and its Evaluation.Int.J.Curr.Res.Aca.Rev. 4(9): 59-70
doi: http://dx.doi.org/10.20546/ijcrar.2016.409.005