©2023-2034 All Rights Reserved. Online Journal of Bioinformatics . You may not store these pages in any form except for your own personal use. All other usage or distribution is illegal under international copyright treaties. Permission to use any of these pages in any other way besides the  before mentioned must be gained in writing from the publisher. This article is exclusively copyrighted in its entirety to OJB publications. This article may be copied once but may not be, reproduced or  re-transmitted without the express permission of the editors. This journal satisfies the refereeing requirements (DEST) for the Higher Education Research Data Collection (Australia). Linking: To link to this page or any pages linking to this page you must link directly to this page only here rather than put up your own page.


OJBTM

 Online Journal of Bioinformatics © 

Established 1995

ISSN 1443-2250

 

 Volume 24 (2):110-127, 2023


In silico drug binding of endocarditis pathogens.

 

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

 

Bioinformatics Centre, SVIMS University, Tirupati, India.

 

ABSTRACT

 

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.  


MAIN

 

FULL-TEXT (SUBSCRIBE OR PURCHASE TITLE)

 

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