ABSTRACT:

Background: Peroxisome proliferator activated receptor gamma (PPAR-γ) agonists are beneficial in the treatment of diabetes by stimulating insulin sensitivity and antagonizing hepatic gluconeogenesis. 
Objective: The aim of this study was to investigate the antidiabetic effect of phytocompounds synthesized from crude extract and fraction of Napoleonae imperialis, using GC-MS analysis and molecular docking studies.
Methods: Crude extract and fraction from N. imperialis were subjected to gas chromatography mass spectrometry (GC-MS) for identification of bioactive compounds in the plant and molecular docking of Napoleonae imperialis on human PPAR-γ protein was determined by Auto/Vina in Pymol 4.2 and compared with Glibenclamide, a known agonist of PPAR-γ.
Results: Our present study reports the phytochemical analysis of the crude extract and fraction from the leaves of Napoleonae imperialis. Sixty one (61) and eighty four (84) compounds were revealed through GC-MS analysis of the crude extract and fraction of N. imperialis. Molecular docking revealed that Dibutyl phthalate, 7,9-ditert-butyl-1-oxaspiro (4,5) deca,6,9-diene,2,8-dione and Guaiol bound favourably to the target receptor involved in glucose metabolism with a binding score of -7.3 kcal/mol and -7.5 kcal/mol against PPAR-γ.
Conclusions: N. imperialis methanol leaf extract and its bioactive compounds Dibutyl phthalate, 7,9-ditert-butyl-1-oxaspiro (4,5) deca,6,9-diene,2,8-dione and Guaiol had a significant antidiabetic activity against PPAR-γ. The molecular binding interaction of an in-silico data demonstrated that Guaiol has more specificity towards the PPAR-γ binding site and could be a potent antidiabetic compound.

KEYWORDS:

Diabetes mellitus, Napoleonae imperialis, Guaiol, Molecular docking, Gas chromatography mass spectrometry, Peroxisome proliferator activated receptor gamma.

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