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Online Journal of Bioinformatics

Volume 14 (1): 32-50, 2013

In Silico drug targets for infectious endocarditis.


Vani Priyadarshini, Dibyabhaba Pradhan, Manne Munikumar, Sandeep Swargam, Amineni Umamaheswari, D. Rajasekhar1


SVIMS Bioinformatics Centre and 1Department of Cardiology, SVIMS University, Tirupati, India




Priyadarshini V, Pradhan D, Munikumar M, Swargam S, Umamaheswari A, Rajasekhar D., In Silico drug targets for infectious endocarditis, Online J Bioinform 14 (1): 32-50, 2013. Availability of pathogens and the human genome sequence have facilitated identification of common drug targets against infective endocarditis (IE). By implementing comparative and subtractive genomics with metabolic pathway analysis, 18 common putative drug targets were identified for 8 major pathogens of IE. MurB was the only target found to use the peptidoglycan biosynthesis pathway unique to bacteria. MurB target was therefore chosen to be modeled (Modeller9v8). From the predicted model, allosteric site residues were located and validated through CASTp analysis. The In Silico drug targets reported here could be used to design drug molecules against infective endocarditis.


Keywords: Infective endocarditis, MurB, Peptidoglycan biosynthesis, Molecular modeling, Modeller.