Abstract
The emergence of novel pathogenic strains with increased antibacterial resistance patterns poses a significant threat to the management of infectious diseases. In this study, we aimed at utilizing the subtractive genomic approach to identify novel drug targets against Salmonella enterica subsp. enterica serovar Poona strain ATCC BAA-1673. We employed in silico bioinformatics tools to subtract the strain-specific paralogous and host-specific homologous sequences from the bacterial proteome. The sorted proteome was further refined to identify the essential genes in the pathogenic bacterium using the database of essential genes (DEG). We carried out metabolic pathway and subcellular location analysis of the essential proteins of the pathogen to elucidate the involvement of these proteins in important cellular processes. We found 52 unique essential proteins in the target proteome that could be utilized as novel targets to design newer drugs. Further, we investigated these proteins in the DrugBank databases and 11 of the unique essential proteins showed druggability according to the FDA approved drug bank databases with diverse broad-spectrum property. Molecular docking analyses of the novel druggable targets with the drugs were carried out by AutoDock Vina option based on scoring functions. The results showed promising candidates for novel drugs against Salmonella infections.
Highlights
Recent progress in the field of computational biology and bioinformatics has generated various in silico analysis and drug designing approaches, eliminating the time and cost involved in the trial and error experimentations that go into drug development [1]
This study focuses on identifying potential drug targets against Salmonella enterica subsp. enterica serovar Poona str
The resulting set 2 proteome containing 3664 proteins was used for further analysis and subject to BlastP search in the database of essential genes (DEG) in order to determine the essential genes required for the survival of the pathogen
Summary
Recent progress in the field of computational biology and bioinformatics has generated various in silico analysis and drug designing approaches, eliminating the time and cost involved in the trial and error experimentations that go into drug development [1]. These methods serve to shortlist the potential drug targets that will subsequently be used for laboratory testing. Subtractive genomics is one such in silico approach used for drug target identification based on determination of essential and nonhomologous proteins within the pathogenic organism [1, 2].
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