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“Physico-chemical characterization and homology modelling based structure prediction of UN2 Protein from Ehrlichia ewingii”
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| Author:
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VINOD JATAV, ANKUR THAKUR, RAJKUMAR YADAV
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| Abstract:
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Human ehrlichiosis is a generic term for members of a group of tick-borne diseases known collectively as the “human ehrlichioses.” In the U.S., the most common types are human monocytic ehrlichiosis (HME, caused by Ehrlichia chaf eensis), and human granulocytic anaplasmosis (HGA, caused by Anaplasma phagocytophilum formerly known as human granulocytic ehrlichiosis, HGE). Recently, a small number of cases of HGE have also been linked to Ehrlichia ewingii, a pathogen commonly causing ehrlichiosis in dogs (canine granulocytic ehrlichiosis) and simply referred to as Ehrlichia ewingii infection. UN2 is a protein from Ehrlichia ewingii with unknown function, the 3D structure of a protein is an imperative for structure based drug design as well as for identifying the structural and functional properties. Three-dimensional structure provide helpful insights into the molecular association of a gene, its purpose also allow efficient drug designing experiments, such as the structure-based design of specific inhibitors. A homology modelling method was used for the prediction of the structure and other various physico-chemical properties of protein were obtained using ProtParam. For the modelling, protein sequence was obtained from NCBI and Protein BLAST was performed to obtain most similar sequences. The model was constructed for the target protein using Modeller 9.11 and Geno 3D. The comparison between the models generated from above mentioned tools indicates greater acceptability of the model generated from modeller 9.11. The accuracy of the predicted structure was checked using Ramachandran plot which showed that the residue falling in the favoured region was 88.4%. The present study gave an outlook on UN2 protein and further research to be carried out in preventing the pathogenesis of disease.
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| Keyword:
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Ehrlichia ewingii, UN2, Homology modeling, Geno 3D, Modeller
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