Full title: Identification of potential drug targets against carbapenem resistant Enterobacteriaceae (CRE) strains using in silico gene network analysis

Gene Reports ◽  
2019 ◽  
Vol 14 ◽  
pp. 129-137 ◽  
Author(s):  
Somorita Baishya ◽  
Sheuli Kangsa Banik ◽  
Anupam Das Talukdar ◽  
Anand Anbarasu ◽  
Amitabha Bhattacharjee ◽  
...  
Keyword(s):  
Network Analysis ◽  
In Silico ◽  
Drug Targets ◽  
Gene Network ◽  
Potential Drug ◽  
Carbapenem Resistant ◽  
Gene Network Analysis ◽  
Potential Drug Targets ◽  
Carbapenem Resistant Enterobacteriaceae

In Silico Carborane Docking to Proteins and Potential Drug Targets

2011 ◽  
Vol 51 (8) ◽  
pp. 1882-1896 ◽  
Author(s):  
Matteo Calvaresi ◽  
Francesco Zerbetto
Keyword(s):  
In Silico ◽  
Drug Targets ◽  
Potential Drug ◽  
Potential Drug Targets

scholarly journals In Silico identification of potential drug targets by subtractive genome analysis of Enterococcus faecium DO

2020 ◽  
Author(s):  
Marwah Karim ◽  
MD Nazrul Islam ◽  
G. M. Nurnabi Azad Jewel
Keyword(s):  
Alcohol Dehydrogenase ◽  
Enterococcus Faecium ◽  
In Silico ◽  
Drug Targets ◽  
3D Structure ◽  
Comparative Genomic ◽  
Therapeutic Drug ◽  
Potential Drug ◽  
Novel Drug ◽  
Potential Drug Targets

AbstractOnce believed to be a commensal bacteria, Enterococcus faecium has recently emerged as an important nosocomial pathogen worldwide. A recent outbreak of E. faecium unrevealed natural and in vitro resistance against a myriad of antibiotics namely ampicillin, gentamicin and vancomycin due to over-exposure of the pathogen to these antibiotics. This fact combined with the ongoing threat demands the identification of new therapeutic targets to combat E. faecium infections.In this present study, comparative proteome analysis, subtractive genomic approach, metabolic pathway analysis and additional drug prioritizing parameters were used to propose a potential novel drug targets for E. faecium strain DO. Comparative genomic analysis of Kyoto Encyclopedia of Genes and Genomes annotated metabolic pathways identified a total of 207 putative target proteins in E. faecium DO that showed no similarity to human proteins. Among them 105 proteins were identified as essential novel proteins that could serve as potential drug targets through further bioinformatic approaches; such as-prediction of subcellular localization, calculation of molecular weight, and web-based investigation of 3D structural characterization. Eventually 19 non-homologous essential proteins of E. faecium DO were prioritized and proved to have the eligibility to become novel broad-spectrum antibiotic targets. Among these targets aldehyde-alcohol dehydrogenase was found to be involved in maximum pathways, and therefore, was chosen as novel drug target. Interestingly, aldehyde-alcohol dehydrogenase enzyme contains two domains namely acetaldehyde dehydrogenase and alcohol dehydrogenase, on which a 3D structure homology modeling and in silico molecular docking were performed. Finally, eight molecules were confirmed as the most suitable ligands for aldehyde-alcohol dehydrogenase and hence proposed as the potential inhibitors of this target.In conclusion, being human non-homologous, aldehyde-alcohol dehydrogenase protein can be targeted for potential therapeutic drug development in future. However, laboratory based experimental research should be performed to validate our findings in vivo.

scholarly journals Prioritisation of potential drug targets against Bartonella bacilliformis by an integrative in-silico approach

2020 ◽  
Vol 115 ◽  
Author(s):  
Mariella Farfán-López ◽  
Abraham Espinoza-Culupú ◽  
Ruth García-de-la-Guarda ◽  
Federico Serral ◽  
Ezequiel Sosa ◽  
...  
Keyword(s):  
In Silico ◽  
Drug Targets ◽  
Potential Drug ◽  
Bartonella Bacilliformis ◽  
Potential Drug Targets

scholarly journals Using gene networks to drug target identification

2005 ◽  
Vol 2 (1) ◽  
pp. 48-57 ◽  
Author(s):  
Zhenran Jiang ◽  
Yanhong Zhou
Keyword(s):  
Gene Networks ◽  
Drug Targets ◽  
Gene Network ◽  
Target Identification ◽  
Biological Data ◽  
Potential Drug ◽  
Drug Target Identification ◽  
Novel Drug ◽  
Potential Drug Targets ◽  
Novel Drug Targets

Abstract The complete genome sequences have provided a plethora of potential drug targets. Gene network technique holds the promise of providing a conceptual framework for analysis of the profusion of biological data being generated on potential drug targets and providing insights to understand the biological regulatory mechanisms in diseases, which are playing an increasingly important role in searching for novel drug targets from the information contained in genomics. In this paper, we discuss some of the network-based approaches for identifying drug targets, with the emphasis on the gene network strategy. In addition, some of the relevant data resources and computational tools are given.

Identification of potential drug targets by subtractive genome analysis of Bacillus anthracis A0248: An in silico approach

2014 ◽  
Vol 52 ◽  
pp. 66-72 ◽  
Author(s):  
Md. Anisur Rahman ◽  
Md. Sanaullah Noore ◽  
Md. Anayet Hasan ◽  
Md. Rakib Ullah ◽  
Md. Hafijur Rahman ◽  
...  
Keyword(s):  
Bacillus Anthracis ◽  
Genome Analysis ◽  
In Silico ◽  
Drug Targets ◽  
Potential Drug ◽  
Potential Drug Targets

An in silico functional annotation and screening of potential drug targets derived from Leishmania spp. hypothetical proteins identified by immunoproteomics

2017 ◽  
Vol 176 ◽  
pp. 66-74 ◽  
Author(s):  
Miguel A. Chávez-Fumagalli ◽  
Mônica S. Schneider ◽  
Daniela P. Lage ◽  
Ricardo A. Machado-de-Ávila ◽  
Eduardo A.F. Coelho
Keyword(s):  
In Silico ◽  
Functional Annotation ◽  
Drug Targets ◽  
Hypothetical Proteins ◽  
Potential Drug ◽  
Leishmania Spp ◽  
Potential Drug Targets
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