Cargando…

Application of the Subtractive Genomics and Molecular Docking Analysis for the Identification of Novel Putative Drug Targets against Salmonella enterica subsp. enterica serovar Poona

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. ente...

Descripción completa

Detalles Bibliográficos
Autores principales: Hossain, Tanvir, Kamruzzaman, Mohammad, Choudhury, Talita Zahin, Mahmood, Hamida Nooreen, Nabi, A. H. M. Nurun, Hosen, Md. Ismail
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5585685/
https://www.ncbi.nlm.nih.gov/pubmed/28904956
http://dx.doi.org/10.1155/2017/3783714
_version_ 1783261682929238016
author Hossain, Tanvir
Kamruzzaman, Mohammad
Choudhury, Talita Zahin
Mahmood, Hamida Nooreen
Nabi, A. H. M. Nurun
Hosen, Md. Ismail
author_facet Hossain, Tanvir
Kamruzzaman, Mohammad
Choudhury, Talita Zahin
Mahmood, Hamida Nooreen
Nabi, A. H. M. Nurun
Hosen, Md. Ismail
author_sort Hossain, Tanvir
collection PubMed
description 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.
format Online
Article
Text
id pubmed-5585685
institution National Center for Biotechnology Information
language English
publishDate 2017
publisher Hindawi
record_format MEDLINE/PubMed
spelling pubmed-55856852017-09-13 Application of the Subtractive Genomics and Molecular Docking Analysis for the Identification of Novel Putative Drug Targets against Salmonella enterica subsp. enterica serovar Poona Hossain, Tanvir Kamruzzaman, Mohammad Choudhury, Talita Zahin Mahmood, Hamida Nooreen Nabi, A. H. M. Nurun Hosen, Md. Ismail Biomed Res Int Research Article 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. Hindawi 2017 2017-08-17 /pmc/articles/PMC5585685/ /pubmed/28904956 http://dx.doi.org/10.1155/2017/3783714 Text en Copyright © 2017 Tanvir Hossain et al. https://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Hossain, Tanvir
Kamruzzaman, Mohammad
Choudhury, Talita Zahin
Mahmood, Hamida Nooreen
Nabi, A. H. M. Nurun
Hosen, Md. Ismail
Application of the Subtractive Genomics and Molecular Docking Analysis for the Identification of Novel Putative Drug Targets against Salmonella enterica subsp. enterica serovar Poona
title Application of the Subtractive Genomics and Molecular Docking Analysis for the Identification of Novel Putative Drug Targets against Salmonella enterica subsp. enterica serovar Poona
title_full Application of the Subtractive Genomics and Molecular Docking Analysis for the Identification of Novel Putative Drug Targets against Salmonella enterica subsp. enterica serovar Poona
title_fullStr Application of the Subtractive Genomics and Molecular Docking Analysis for the Identification of Novel Putative Drug Targets against Salmonella enterica subsp. enterica serovar Poona
title_full_unstemmed Application of the Subtractive Genomics and Molecular Docking Analysis for the Identification of Novel Putative Drug Targets against Salmonella enterica subsp. enterica serovar Poona
title_short Application of the Subtractive Genomics and Molecular Docking Analysis for the Identification of Novel Putative Drug Targets against Salmonella enterica subsp. enterica serovar Poona
title_sort application of the subtractive genomics and molecular docking analysis for the identification of novel putative drug targets against salmonella enterica subsp. enterica serovar poona
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5585685/
https://www.ncbi.nlm.nih.gov/pubmed/28904956
http://dx.doi.org/10.1155/2017/3783714
work_keys_str_mv AT hossaintanvir applicationofthesubtractivegenomicsandmoleculardockinganalysisfortheidentificationofnovelputativedrugtargetsagainstsalmonellaentericasubspentericaserovarpoona
AT kamruzzamanmohammad applicationofthesubtractivegenomicsandmoleculardockinganalysisfortheidentificationofnovelputativedrugtargetsagainstsalmonellaentericasubspentericaserovarpoona
AT choudhurytalitazahin applicationofthesubtractivegenomicsandmoleculardockinganalysisfortheidentificationofnovelputativedrugtargetsagainstsalmonellaentericasubspentericaserovarpoona
AT mahmoodhamidanooreen applicationofthesubtractivegenomicsandmoleculardockinganalysisfortheidentificationofnovelputativedrugtargetsagainstsalmonellaentericasubspentericaserovarpoona
AT nabiahmnurun applicationofthesubtractivegenomicsandmoleculardockinganalysisfortheidentificationofnovelputativedrugtargetsagainstsalmonellaentericasubspentericaserovarpoona
AT hosenmdismail applicationofthesubtractivegenomicsandmoleculardockinganalysisfortheidentificationofnovelputativedrugtargetsagainstsalmonellaentericasubspentericaserovarpoona