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Online ISSN: 2278-1404

International Journal of Fundamental and Applied Sciences

In silico designing of DASM with Pyrazofurin, a possible drug candidate for Anthrax


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Year 2018 Vol 7 Issue 1
Document Type : ORIGINAL ARTICLE
1Prashantha Karunakar, 2K V Shiva Kumar, 3C Sunil Kumar, 4V Krishna Murthy, 5C R Girija
1Department of Biotechnology, PES University, Banashankari III Stage, Bangalore – 560085, Karnataka India.
2Department of Biotechnology, PES University, Banashankari III Stage, Bangalore – 560085, Karnataka India.
3Department of Biotechnology, PES University, Banashankari III Stage, Bangalore – 560085, Karnataka India.
4Department of Biotechnology, PES University, Banashankari III Stage, Bangalore – 560085, Karnataka India.
5Department of Chemistry, Government Science College, Nrupatunga Road, Bangalore—560001, Karnataka India
Abstract
Bacillus anthracis is a notorious occupational zoonotic agent causing anthrax to veterinarians.
In this study, for the purpose of lead development, Dehydro Andrographolide Succinic acid Monoester (DASM) inhibitor of Furin was selected as a template.Anthrax infection is highly lethal in its most virulent form and produces a combination of three endotoxins namely Protective antigen, Lethal factor and Edema factor.
Furin is involved in other diseases, DASM was modified by adding anti-cancer, anti-inflammatory, anti-tuberculosis and anti-viral groups.
It was found that modification with each group like Pyrazofurin, Ethanol, Dimethyl, Dimethylbutyl, Mercaptopurine, Sulfacetamide, Ethambutol, Isoniazid to DASM showed a better interaction.The ligand with Pyrazofurin as the modification group showed high affinity with Furin involving the active site residue SER 368. The results suggest that DASM containing pyrazofurin (compound2) as side group can be an appropriate lead for the development of Furin inhibitors
Keywords
Bacillus anthracis, Dehydro Andrographolide Succinic acid Monoester, Furin, Protective antigen, Lethal fator
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