The entire procedure for the identification of appropriate drug targets and prediction of inhibitor is shown in Figure 1 through schematic diagram.
2.1 Pathway analysis of the host and pathogen
The Kyoto Encyclopedia of Genes and Genomes (KEGG) database [1, 2] was explored for metabolic pathways for both human genomes and Shigella flexneri 2a (301). The identification numbers of all pathways from both organisms were listed. Thereafter, a manual comparison was made between the host and pathogen metabolic pathways. Those pathways that did not appear in the human genomes but were present in the pathogen, according to the KEGG database annotations, were selected as unique to Shigella flexneri 2a.The remaining pathways were listed as common. Finally, amino acid sequences of proteins …show more content…
A total of 18 proteins from the common pathway and a total of 124 proteins of the unique pathways of the pathogen were detected as non-homologous.
STRING database retrieved the essential proteins from all the non-homologous proteins of the pathogen based on the highest confidence score of 0.9. All the experimental, co-expression and neighborhood data were selected for screen out the essential proteins. Well isolated network with lower seed were removed from the analysis for securing the best prediction. Finally, we got 13 essential proteins from the common pathways and 83 from the unique pathways. The interactive network is depicted in the Figure S2.
Both CELLO and PSORTb were predicted the subcellular localizations of all the essential proteins including all the unique pathogen proteins (Figure 2). Cytoplasmic region in the top most hit among them and finally we found 7 membrane and 89 cytoplasmic essential proteins from both common and unique