Molecular Modeling and docking of Wheat Hydroquinone Glucosyl transferase by using Hydroquinone,Phenyl phosphorodiamate and n-(n butyl) Phosphorothiocic Triamide as Inhibitors |
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Authors: | Tayyaba Huma Arooma Maryam Tahir ul qamar |
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Institution: | Department of Bioinformatics and Biotechnology, Government College University (GCUF), 38000, Faisalabad, Punjab, Pakistan |
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Abstract: | In agriculture high urease activity during urea fertilization causes substantial environmental and economical problems by releasing
abnormally large amount of ammonia into the atmosphere which leads to plant damage as well as ammonia toxicity. All over the
world, urea is the most widely applied nitrogen fertilizer. Due to the action of enzyme urease; urea nitrogen is lost as volatile
ammonia. For efficient use of nitrogen fertilizer, urease inhibitor along with the urea fertilizer is one of the best promising
strategies. Urease inhibitors also provide an insight in understanding the mechanism of enzyme catalyzed reaction, the role of
various amino acids in catalytic activity present at the active site of enzyme and the importance of nickel to this metallo enzyme. By
keeping it in view, the present study was designed to dock three urease inhibitors namely Hydroquinone (HQ), Phenyl
Phosphorodiamate (PPD) and N-(n-butyl) Phosphorothiocic triamide (NBPT) against Hydroquinone glucosyltransferase using
molecular docking approach. The 3D structure of Hydroquinone glucosyltransferase was predicted using homology modeling
approach and quality of the structure was assured using Ramachandran plot. This study revealed important interactions among
the urease inhibitors and Hydroquinone glucosyltransferase. Thus, it can be inferred that these inhibitors may serve as future anti
toxic constituent against plant toxins. |
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Keywords: | Soil Urease activity Hydroquinone glucosyltransferase Molecular docking and Homology modeling |
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