insilico Characterization and Homology Modeling of Arabitol Dehydrogenase (ArDH) from Candida albican |
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Authors: | Muhammad Waseem Sarwar Irum Baddisha Saleem Asif Ali Farhat Abbas |
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Institution: | Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan |
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Abstract: | Background: Arabitol dehydrogenase (ArDH) is involved in the production of different sugar alcohols like arabitol, sorbitol,
mannitol, erythritol and xylitol by using five carbon sugars as substrate. Arabinose, d-ribose, d-ribulose, xylose and d-xylulose are
known substrate of this enzyme. ArDH is mainly produced by osmophilic fungi for the conversion of ribulose to arabitol under
stress conditions. Recently this enzyme has been used by various industries for the production of pharmaceutically important
sugar alcohols form cheap source than glucose. But the information at structure level as well as its binding energy analysis with
different substrates was missing. Results: The present study was focused on sequence analysis, insilico characterization and
substrate binding analysis of ArDH from a fungus specie candida albican. Sequence analysis and physicochemical properties
showed that this protein is highly stable, negatively charged and having more hydrophilic regions, these properties made this
enzyme to bind with number of five carbon sugars as substrate. The predicted 3D model will helpful for further structure based
studies. Docking analysis provided free energies of binding of each substrate from a best pose as arabinose -9.8224calK/mol, dribose
-11.3701Kcal/mol, d-ribulose -8.9230Kcal/mol, xylose -9.7007Kcal/mol and d-xylulose 9.7802Kcal/mol. Conclusion: Our
study provided insight information of structure and interactions of ArDH with its substrate. These results obtained from this study
clearly indicate that d-ribose is best substrate for ArDH for the production of sugar alcohols. This information will be helpful for
better usage of this enzyme for hyper-production of sugar alcohols by different industries. |
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Keywords: | Arabitol dehydrogenase Homology Modeling insilico Charaterization Molecular Docking |
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