Integrating Network Pharmacology And Molecular Docking To Investigate The Possibility Of Rutin Against Gout

Haritha P M

Abstract

Objective: Gout is an arthritic condition resulting from the deposition of monosodium urate crystals in and around the joints. Rutin, a bioflavanoid or a plant pigment that is mainly found in vegetables and fruits.It is widely known for its anti-inflammatory and antioxidant activity.Hence this research paper proposes the use of an integrated approach of network pharmacology and molecular docking to investigate the potential of Rutin as a treatment option for gout.Methods: In the current study, computational methods like network pharmacology and molecular docking were carried out for the analysis. IMPPAT was the database used to retrieve the rutin analogues and network based analysis was utilized to understand the interaction between the structure based predicted targets and the know target for the illness obtained from GeneCards. For the interpretation of biological process involved by the targets, Gene ontology pathway analysis was carried out. PyRx, a virtual tool is used for understanding the binding affinity between the targets and the analogues and for visualizing the interaction between the structures was done using BIOVIA discovery studio software. Pharmacological studies were done on the basis of ADMET analysis.Results: The result from this study showed that Rutin has the ability to inhibit the action of Xanthine oxidase, major enzyme involved in the production of uric acid. But pharmacological analysis done on the Rutin analogue showed variation in the results. Conclusion: The current study demonstrated that Rutin has a role in treating gout but further studies need to be done on Rutin analogues to understand their pharmacological action on the disease.

Abstract

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