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IJSTR >> Volume 5 - Issue 10, November 2016 Edition

International Journal of Scientific & Technology Research  
International Journal of Scientific & Technology Research

Website: http://www.ijstr.org

ISSN 2277-8616

In-Silico Testing Of Nutraceutical Against The Murd Enzymes From Mycobacterium Tuberculosis

[Full Text]



Mohammad Teimouri, Hamidreza Kamrani



Nutraceutical, MurD, Mycobacterium Tuberculosis, homology modeling, Molecular Docking, I-Tasser Server, Modeler v9.14



In spite of availability of moderately protective vaccine and antibiotics, new antibacterial agents are urgently needed to decrease the global incidence of Mycobacterium tuberculosis infections. Mur family is an important target for the development of new drugs as they are involved in the biosynthesis of bacterial cell wall. MurC-MurF ligases catalyze a series of irreversible steps in the biosynthesis of peptidoglycan precursor, i.e. MurD catalyzes the ligation of D-glutamate to the nucleotide precursor UMA. Here, we developed a homology model of MurD from M. Tuberculosis and was validated by using rampage, Errat and ProSA online servers. Different nutraceuticals were tested and reported for their activity. Among the 14 nutraceuticals, Diosgenin, Xanthohumol, Capsaicin, 1'-acetoxychavicol acetate and [6]-Gingerol have best docking score. The best of all was Diosgenin with the docking score -14.22988, Xanthohumol with -13.923555, Capsaicin with -12.880404, 1'-acetoxychavicol acetate with -12.573502 and [6]-Gingerol -12.349156 which will play a guiding role in the experimental design and development of mycobacterium tuberculosis MurD



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