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Structural Biology 2018
Volume: 4
Biochemistry & Molecular Biology Journal
Page 72
March 15-16 2018
Barcelona, Spain
10th Edition of International Conference on
Structural Biology
Shigella causes common bacillary diarrhoea in humans
which is termed as ‘shigellosis’. While Shigella dysenteriae
type 1 causes the most severe form of bloody dysentery and is
responsible for outbreaks, S. flexneri, S. sonnei and S. boydii
causes endemic shigellosis. S. flexneri 2a is the commonest
cause of bacillary diarrhoea in children of developing countries
including India. Although not always recommended, antibiotics
are used for empirical treatment. However, rapid emergence of
antimicrobial resistance has resulted in the bacteria acquiring
resistance to most available antimicrobials and therefore there
is an immediate requirement of newer drugs effective against
this pathogen. The proteome consisting of 4053 proteins of
Shigella flexneri 2a str. 301 was retrieved from NCBI and CD
HIT tool was used to remove paralogs/duplicates from the list.
The resulting 3178 protein sequences were subjected to Blastp
against human proteome to identify protein sequences non-
homologous to humans. The resultant 1329 protein sequences
were subsequently subjected to DEG Blastp that listed out 620
essential proteins of pathogens and sub-cellular localization
were predicted using CELLO v.2.5 tool. 19 were identified as outer
membrane proteins among which five (OMP F, thymidine kinase,
porin, sorbitol-6-phosphate dehydrogenase, lipopolysaccharide
1,3-galactosyltransferase) were identified as pathogen specific.
3D structure analysis resulted in predicting binding pockets for
these proteins which can serve as drug targets. SNP analysis
of NGS data showed that the selected target proteins were not
vulnerable to non-synonymousmutation during the course of time
and therefore ideal candidates to be targeted with novel drugs.
Structural prediction and analysis of putative drug targets
of Shigella flexneri 2A, the commonest agent of endemic
shigellosis in developing countries
Pramod Kumar, Subarna Roy, Sanjay Deshpande and Viajylaxmi Attimar
ICMR-National Institute of Traditional Medicine, India
Biochem Mol biol J, Volume 4
DOI: 10.21767/2471-8084-C1-009