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OJBTM
Online Journal of Bioinformatics ©
Established
1995
ISSN 1443-2250
Volume 24 (2):110-127, 2023
In silico drug binding of endocarditis
pathogens.
Priyadarshini V, Pradhan D, Munikumar M, Swargam S, Umamaheswari A, Rajasekhar D., In silico drug binding of endocarditis pathogens, Onl
J Bioinform., 24 (2):110-127, 2023. Genome sequences from pathogens
causing infectious endocarditis and human genome sequences were used to
identify common drug targets. Implementing comparative genomic, subtractive
genomic and metabolic pathway analysis we found 18 targets in 8 microorganisms.
UDP-N-acetylenol pyruvyl glucosamine
reductase (MurB) of Streptococcus mitis was the only target involved in peptidoglycan
biosynthesis unique to bacteria modelled for allosteric site residues
validated through CASTp analysis. From genome
sequences of 8 pathogens we found 24 common gene proteins of which 22 were essential,
4 homologous and 18 non homologous were identified as targets.
FULL-TEXT (SUBSCRIBE OR PURCHASE TITLE)
Keywords: Infective endocarditis, MurB, Peptidoglycan biosynthesis, Molecular modeling, Modeller.