Non-targeted screening with LC-HRMS and In-Silico Study on Diabetic activity of ethyl acetate extract of Sanrego (Lunasia amara Blanco)

Abstract

Indonesian have long empirical use of the Sanrego plant (Lunasia amara Blanco) as antidiabetic, but the active compounds of Sanrego that acts as antidiabetic is not yet known. This study aimed to know the active compound from the ethyl acetate extract (EEA) of Sanrego stems and leaves and predict its ability as an anti- diabetic by in-silico. The dried leaves and stems of Sanrego were grounded into powder and extracted using ethyl acetate. The active compounds were detected using thin-layer chromatography (TLC) and Liquid chromatography high-resolution mass spectrometry (LC-HRMS). Anti-diabetic activity was predicted by molecular docking approach compared to acarbose and vildagliptin. The TLC results showed that Sanrego EEA contained alkaloid and flavonoid compounds include scopoletin. The LC-HRMS results showed 11 active compounds in EEA and all of them had anti-diabetic activity. The detected main compounds were hesperidin, scopoletin, tangeritin, and trigonelline. Based on the results of molecular docking, the four compounds showed anti-diabetic activity through α-glucosidase inhibition and dipeptidyl peptides- 4 (DPP-4) inhibition. Hesperidin has the highest energy affinity as an α-glucosidase inhibitor (-7.4) and DPP4 inhibitor (-9.8), followed by tangeritin, scopoletin, and trigonelline. This study concluded that the EEA of Sanrego contains hesperidin, tangeritin, scopoletin, and trigonelline which has anti-diabetic activity through α-glucosidase inhibition and DPP4 inhibition.