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Trends in Bioinformatics
eISSN: 2077-2254
pISSN: 1994-7941

Editor-in-Chief:  Amir Feisal Merican
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Research Article
Molecular Docking Study of 2, 3-Dimethylmaleic Anhydride (3, 4-Dimethyl-2, 5-Furandione) as Anti-inflammatory Agent
Panchamita Basumatary, Manas Das, Pranjan Barman and Manisha Choudhury
Background and Objective: Extracts from Colocasia esculenta plant have been found to possess anti-inflammatory properties. 2, 3-Dimethylmaleic anhydride (3, 4-Dimethyl-2, 5-furandione) is a recent root stock extract of Colocasia esculenta. This study aimed to look for the possible anti-inflammatory activity of the 2, 3-Dimethylmaleic anhydride by docking study with the target protein, COX-2. Materials and Methods: Crystal structure of COX-2 was retrieved from RCSB protein data bank. The structure of 2, 3-Dimethylmaleic anhydride was retrieved from PubChem compound database in NCBI. Docking study was performed with the help of AutoDock 4.2.6. Results: Docking study showed that 2, 3-Dimethylmaleic anhydride fits into the cyclooxygenase active site of COX-2 with favourable binding energy. Conclusion: NSAIDs best known for their anti-inflammatory properties act by blocking COX enzymes suggest the compound 2, 3-Dimethylmaleic anhydride may possess anti-inflammatory potential bearing a role in alleviating the signs and symptoms of inflammation.

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