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Original Article



Molecular Docking of Active Compounds from Phoenix pusilla Root Extract Against Antidiabetic and Anti-inflammatory Drug Targets

Vijayabharathi Saravanan, Anuradha Venkatraman, Habeeb S.K.M.




Abstract
Cited by 1 Articles

Phoenix pusilla is a stemless plant found in India and Srilanka belonging to arecaceae family, commonly called as small date palm. Small date palm found to have folklore medicinal value but it is underutilized. So in this present study, antidiabetic and anti-inflammatory activity of active compounds from Phoenix pusilla root ethanol extract were assessed using in silico tools. Two antidiabetic and two anti-inflammatory protein targets were chosen for the docking study. The lead molecules were also assessed for drug likeliness properties using molinspiration. Eight ligands were selected from the results of GC-MS chromatogram of Phoenix pusilla root ethanol extract. Docking was carried using igemdock and autodock software. From igemdock results, it was observed that among the 8 compounds chosen, Vanillic acid showed high binding efficiency with all the four target proteins. The binding energy of vanillic acid observed against alpha amylase and alpha glucosidase were -65.52, - 61.63 respectively. Similarly, the binding energy against Interleukin 6 and TNF alpha were - 62.116 and -78.0683 respectively. Phoenix pusilla root could be utilized as a source for vanillic acid and also as an antidiabetic and anti-inflammatory agent.

Key words: Phoenix pusilla, docking, igemdock, vanillic acid, alpha amylase, alpha glucosidase.






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