Identification and molecular docking analysis alkaloids Polyalthia longifolia leaves from Indonesia and the Philippines as anti-inflammatory

Abstract

Polyalthia longifolia (family: Annonaceae) is widely planted to effectively reduces noise pollution. This plant spread in many countries including Indonesia and the Philippines. Alkaloids are the main active compounds other than terpenoids in P.longifolia and it has the potential to be anti-inflammatory. Each leaves considered have different active compounds because of the different geographic factor from each country. To confirm this, we investigated the differences alkaloid compounds from two different sources of plants and predicted their anti-inflammatory potential. Shade-dried leaves from Indonesia and the Philippines were extracted by ethanol 70%. Two extracts were analyzed with LC-MS to ensure alkaloid compounds. Ensured alkaloid compounds further take on molecular docking. The compounds were drawn with ChemDraw then convert to .pdb with Open Babel. The protein COX-2 obtained from .pdb then prepared with PyMol. The docking process held by PyRx and the interaction was visualized by LigPlot+. LC-MS analysis identified 5 alkaloids contained from the ethanol extract of P.longifolia leaves from Indonesia and the Philippines. O-methylbulbocapnine-N-oxide was found only in ethanol extract leaves from Indonesia, while N-methylnandingerine-β-N-oxide was only found in ethanol extract leaves from the Philippines. All compounds have the potential as an anti-inflammation. Liriodenine as the most potent compound with binding energy −10.9kcal/mol. O-methylbulbocapnine-N-oxide has lower binding energy than N-methylnandingerine-β-N-oxide. In conclusion, there are differences between the alkaloid compounds and anti-inflammatory potential of the ethanol extract of P.longifolia leaves from Indonesia and the Philippines. Moreover, Indonesia’s ethanol extract leaves showed more potential than Philippines’s.