IN SILICO DOCKING STUDIES ON THE COMPONENTS OF INONOTUS SP., A MEDICINAL MUSHROOM AGAINST CYCLOOXYGENASE-2 ENZYME

Authors

  • SETTI SUDHARSAN MEENAMBIGA
  • Kalyanaraman Rajagopal
  • Durga R

Abstract

Inonotus sp., mushroom is widely present and known for its medicinal property. This mushroom produces several bioactive compounds with various pharmaceutical uses. In the present study, about 8 biologically active compounds from Inonotus sp., were analyzed for its drug likeliness based on Lipinski's rule of five and inhibitor property against the COX-2 enzyme, a protein responsible for inflammation. The compounds which satisfy the Lipinski's rule namely inotilone, 4-(3,4-dihydroxyphenyl)butanone and hispidin were subjected to docking experiments using AutoDock 4.2. Molecular docking studies revealed that inotilone, hispidin and 4-(3,4-dihydroxyphenyl) buanone bind effectively to the active site region of COX-2 with a binding energy of -6.73, -7.78 and -5.63 respectively. Hence, compounds reported from Inonotus sp., were found to possess potential medicinal value with anti-inflammatory properties and this provides potential insight to develop new COX-2 inhibitors.

Keywords

Inonotus sp., Inflammation, COX-2, AutoDock.

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Published

2015-05-01

How to Cite

SETTI SUDHARSAN MEENAMBIGA, K. Rajagopal, and D. R. “IN SILICO DOCKING STUDIES ON THE COMPONENTS OF INONOTUS SP., A MEDICINAL MUSHROOM AGAINST CYCLOOXYGENASE-2 ENZYME”. Asian Journal of Pharmaceutical and Clinical Research, vol. 8, no. 3, May 2015, pp. 142-5, https://innovareacademics.in/journals/index.php/ajpcr/article/view/5146.

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