ArticleJournal of molecular modeling2012
In silico quest for putative drug targets in Helicobacter pylori HPAG1: molecular modeling of candidate enzymes from lipopolysaccharide biosynthesis pathway.
Article in Journal of molecular modeling, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed.
- Prediction of virulence factors in bacterial hypothetical proteins.Archives of microbiology · 2025Article
- Screening of Novel Drug Targets and Drug Design forCurrent research in microbial sciences · 2024Article
- Multi-epitope vaccine against drug-resistant strains of Mycobacterium tuberculosis: a proteome-wide subtraction and immunoinformatics approach.Genomics & informatics · 2023Article
- Computational Guided Drug Targets Identification against Extended-Spectrum Beta-Lactamase-Producing Multi-Drug Resistant UropathogenicBiomedicines · 2023Article
- Pathogenomic in silico approach identifies NSP-A and Fe-IIISBP as possible drug targets in Neisseria Meningitidis MC58 and development of pharmacophores as novel therapeutic candidates.Molecular diversity · 2023Article
- Subtractive proteomics analysis to uncover the potent drug targets for distinctive drug design ofHeliyon · 2023Article
- Exploring the inhibitory potential ofFrontiers in molecular biosciences · 2023Article
- Prioritization of potential drug targets and antigenic vaccine candidates againstJournal of proteins and proteomics · 2021Article
- Helicobacter pylori treatment in the post-antibiotics era-searching for new drug targets.Applied microbiology and biotechnology · 2020Review
- Putative Drug Target Identification in Tinea Causing Pathogen Trichophyton rubrum Using Subtractive Proteomics Approach.Current microbiology · 2020Article
- Identification of Potential Drug Targets inPathogens (Basel, Switzerland) · 2020Article
- Modeling Novel Putative Drugs and Vaccine Candidates against Tick-Borne Pathogens: A Subtractive Proteomics Approach.Veterinary sciences · 2020Article
- Functional Annotation and Curation of Hypothetical Proteins Present in A Newly Emerged Serotype 1c ofGenes · 2020Article
- Lipopolysaccharide Stimulates the Growth of Bacteria That Contribute to Ruminal Acidosis.Applied and environmental microbiology · 2020Article
- Identification of potential drug targets and vaccine candidates in Clostridium botulinum using subtractive genomics approach.Bioinformation · 2019Article
- Dtar-Finder: program for drug target identification and characterization in bacteria.Bioinformation · 2019Article
- A SystematicCurrent genomics · 2017Article
- Global metabolic analyses identify key differences in metabolite levels between polymyxin-susceptible and polymyxin-resistant Acinetobacter baumannii.Scientific reports · 2016Article
- Essential proteins and possible therapeutic targets of Wolbachia endosymbiont and development of FiloBase--a comprehensive drug target database for Lymphatic filariasis.Scientific reports · 2016Article
- Finding Potential Therapeutic Targets againstFrontiers in microbiology · 2016Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Aimed at identification and structural characterization of novel putative therapeutic targets in H. pylori, the etiological agent of numerous gastrointestinal diseases including peptic ulcer and gastric cancer, the present study comprised of three phases. First, through subtractive analysis of metabolic pathways of Helicobacter pylori HPAG1 and human, as documented in the KEGG database, 11 pathogen-specific pathways were identified. Next, all proteins involved in these pathogen-specific pathways were scrutinized in search of promising targets and the study yielded 25 candidate target proteins that are likely to be essential for the pathogen viability, but have no homolog in human. The lipopolysaccharide (LPS) biosynthesis pathway was found to be the largest contributor (nine proteins) to this list of candidate proteins. Considering the importance of LPS in H. pylori virulence, 3D structural models of three predicted target enzymes of this pathway, namely 2-dehydro-3-deoxy-phosphooctonate aldolase, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase and Phosphoheptose isomerase, were then built up using the homology modeling approaches. Binding site analysis and docking of the known biological substrate PEP to 2-dehydro-3-deoxyphosphooctonate aldolase revealed the potential binding pocket present in the single monomeric form of the enzyme and identified 11 amino acid residues that might play the key roles in this protein-ligand interaction.
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