In Silico Identification and Characterization of Potential Drug Targets in Bovine Herpes Virus 4, Causing Bovine Mastitis

The purpose of this study is to deal with aetiology causing bovine mastitis; bovine herpes virus is also responsible for causing bovine mastitis but studies on viruses have been neglected as historical mastitis research has concentrated only on bacterial pathogens. Therefore, present study aims to make an in silico identification and characterization of potential drug targets in bovine herpes virus 4 by computational methods using various bioinformatics tools. In the current investigation 5 proteins of BoHV 4 were found to be nonhomologous to the host Bos taurus; these nonhomology proteins were believed to be inevitable proteins of BoHV 4 as they were specific to the virus; however 378 proteins were homologous to the host protein. The in silico physicochemical characterization of 5 proteins of BoHV 4 indicated that all the proteins of the virus were having more or less similar characteristics. Perhaps the knowledge of the present study may help in drug discovery which have high affinity to target site. Possible drug discovery to manage bovine mastitis with a help of bioinformatics tool is more significant and, specific and, reduces time and complications involved in clinical trials.

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Identification and characterization of potential drug targets by subtractive genome analyses of methicillin resistant Staphylococcus aureus

Computational Biology and Chemistry ◽

10.1016/j.compbiolchem.2013.11.005 ◽

2014 ◽

Vol 48 ◽

pp. 55-63 ◽

Cited By ~ 25

Author(s):

Reaz Uddin ◽

Kiran Saeed

Keyword(s):

Staphylococcus Aureus ◽

Drug Targets ◽

Methicillin Resistant Staphylococcus Aureus ◽

Potential Drug ◽

Methicillin Resistant ◽

Genome Analyses ◽

Potential Drug Targets ◽

Identification And Characterization

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The transcriptome of Echinostoma caproni adults: Further characterization of the secretome and identification of new potential drug targets

Journal of Proteomics ◽

10.1016/j.jprot.2013.06.017 ◽

2013 ◽

Vol 89 ◽

pp. 202-214 ◽

Cited By ~ 14

Author(s):

Gagan Garg ◽

Dolores Bernal ◽

Maria Trelis ◽

Javier Forment ◽

Javier Ortiz ◽

...

Keyword(s):

Drug Targets ◽

Potential Drug ◽

Echinostoma Caproni ◽

Potential Drug Targets

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Ebola Virus Potential Drug Targets and Prospects for Small Molecule Drug Discovery

Journal of Pharmaceutical Sciences and Pharmacology ◽

10.1166/jpsp.2014.1031 ◽

2014 ◽

Vol 1 (4) ◽

pp. 313-321

Author(s):

Haregewein Assefa

Keyword(s):

Drug Discovery ◽

Small Molecule ◽

Drug Targets ◽

Ebola Virus ◽

Potential Drug ◽

Small Molecule Drug ◽

Potential Drug Targets

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A small mitochondrial protein present in myzozoans is essential for malaria transmission

Open Biology ◽

10.1098/rsob.160034 ◽

2016 ◽

Vol 6 (4) ◽

pp. 160034 ◽

Cited By ~ 9

Author(s):

Dennis Klug ◽

Gunnar R. Mair ◽

Friedrich Frischknecht ◽

Ross G. Douglas

Keyword(s):

Drug Targets ◽

Mitochondrial Protein ◽

Sister Group ◽

Developmental Defect ◽

Mitochondrial Mass ◽

First Time ◽

Potential Drug Targets ◽

Identification And Characterization

Myzozoans (which include dinoflagellates, chromerids and apicomplexans) display notable divergence from their ciliate sister group, including a reduced mitochondrial genome and divergent metabolic processes. The factors contributing to these divergent processes are still poorly understood and could serve as potential drug targets in disease-causing protists. Here, we report the identification and characterization of a small mitochondrial protein from the rodent-infecting apicomplexan parasite Plasmodium berghei that is essential for development in its mosquito host. Parasites lacking the gene mitochondrial protein ookinete developmental defect ( mpodd ) showed malformed parasites that were unable to transmit to mosquitoes. Knockout parasites displayed reduced mitochondrial mass without affecting organelle integrity, indicating no role of the protein in mitochondrial biogenesis or morphology maintenance but a likely role in mitochondrial import or metabolism. Using genetic complementation experiments, we identified a previously unrecognized Plasmodium falciparum homologue that can rescue the mpodd(−) phenotype, thereby showing that the gene is functionally conserved. As far as can be detected, mpodd is found in myzozoans, has homologues in the phylum Apicomplexa and appears to have arisen in free-living dinoflagellates. This suggests that the MPODD protein has a conserved mitochondrial role that is important for myzozoans. While previous studies identified a number of essential proteins which are generally highly conserved evolutionarily, our study identifies, for the first time, a non-canonical protein fulfilling a crucial function in the mitochondrion during parasite transmission.

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In Silico Carborane Docking to Proteins and Potential Drug Targets

Journal of Chemical Information and Modeling ◽

10.1021/ci200216z ◽

2011 ◽

Vol 51 (8) ◽

pp. 1882-1896 ◽

Cited By ~ 28

Author(s):

Matteo Calvaresi ◽

Francesco Zerbetto

Keyword(s):

In Silico ◽

Drug Targets ◽

Potential Drug ◽

Potential Drug Targets

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Subtractive Genomics Approach for in Silico Identification and Characterization of Novel Drug Targets in Neisseria Meningitides Serogroup B

Journal of Computer Science & Systems Biology ◽

10.4172/jcsb.1000038 ◽

2009 ◽

Vol 02 (05) ◽

Cited By ~ 9

Author(s):

Aditya Narayan Sarangi

Keyword(s):

In Silico ◽

Drug Targets ◽

Neisseria Meningitides ◽

Subtractive Genomics ◽

In Silico Identification ◽

Subtractive Genomics Approach ◽

Novel Drug ◽

Identification And Characterization ◽

Novel Drug Targets

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

10.1101/2020.02.14.948232 ◽

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.

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