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- W2069377857 abstract "Nitric oxide synthase inducible (iNOS) inhibits the proliferation of T-lymphocytes and its role has been associated in disease such as cancer. Various studies have also found out the expression and the activity of iNOS in cancer. Thus requiring attention for novel inhibitors against this enzyme. In the present study, the three-dimensional structure of iNOS of Gallus gallus was generated by homology modelling using Modeller 9v8. The generated model was accessed for geometrical errors and energy stability check. Further, a molecular docking analysis was carried out against quercetin and its analogues and the docked analogues were accessed for ADME–toxicity parameters. The three-dimensional structure of iNOS of G. gallus was generated and the assessment analysis revealed the generated model is reliable. The molecular docking and ADME–toxicity analysis revealed three analogues have favourable interaction energy with enhanced pharmacological parameters than quercetin at the binding cavity of iNOS enzyme. The analogues of quercetin could be a lead molecule and supports for experimental testing as iNOS inhibitors in fighting against cancer." @default.
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- W2069377857 date "2013-05-01" @default.
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- W2069377857 title "Homology modelling and molecular docking studies of nitric oxide synthase (inducible) of Gallus gallus" @default.
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- W2069377857 doi "https://doi.org/10.1016/j.jopr.2013.04.048" @default.
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