TARGETING JATROPHA DERIVED PHYTOCHEMICALS TO INHIBIT THE XANTHINE OXIDASE & CYCLOOXYGENASE-2: IN SILICO ANALYSIS TOWARDS GOUT TREATMENT
Keywords:
Gout, Xanthine Oxidase, Cyclooxygenase-2, Jatropha, Phytochemicals, Autodock 42Abstract
Objective: Gouty arthritis is a well known disease with an abrupt attack causing extreme pain in and around the joints. Accumulated urate crystals, being the reason of the disease cause a lot of inflammation leading to swelling in the joints. These diseases are being treated using NSAIDs, Colchicine as well as few of the Glucocorticoids but these have some unnatural effects primarily, gastrointestinal and cardiovascular side effects. Nowadays, Jatropha curcas, a medicinal plant has been studied for anti – inflammatory properties therefore the phytochemical constituents of this plant can be an effective drug against this Gout disease.
Methods: Herein for docking, Lamarckian Genetic algorithm was applied using Autodock4.2 (version 1.5.6). Xanthine Oxidase and Cyclooxygenase-2 proteins from Homo sapiens were modeled using the Swiss model and screened against the phytochemicals from Jatropha species.
Results: The results demonstrated that Jatrophone (KNApSAcK_ID: C00003446), 6β-hydroxy-4-stigmasten-3-one (KNApSAcK_ID: C00029573) and Palmarumycin CP1 (KNApSAcK_ID: C00035859) had a good affinity for both, Xanthine oxidase and COX-2. Further, the interaction profile of the phytochemicals with both the protein was analyzed using LigPlot+.
Conclusion: The interaction pattern phytochemicals with the Xanthine Oxidase and Cyclooxygensae-2 may provide hints for the design of novel derivatives with higher potency and specificity.
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References
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