Cytotoxicity and phytochemical profiles of Phyllanthus emblica stem barks with in silico drug-likeliness: Focusing on antidiabetic potentials

Out of numerous reported medicinal plants, Phyllanthus emblica has been reported to possess a strong antidiabetic potential and other pharmacological effects. This research aimed to identify the phytoconstituents in the extracts of P. emblica stem barks and hypothesize their antidiabetic potentials based on in silico drug-likeliness. Simplicia of P. emblica powder was sequentially macerated at room temperature (24 h) using n-hexane, ethyl acetate, and methanol solvents. Phytochemical profiles of the extract were investigated qualitatively using reagents, followed by gas chromatography–mass spectrometry (GC-MS) analysis. All phytocompounds were then analyzed for their pharmacological properties and predicted bioactivities on molinspiration. Cytotoxicity of each extract was evaluated using the brine shrimp lethality test. As many as 18 compounds (from GC-MS), were identified in all extract samples from P. emblica stem barks. Based on in silico drug-likeliness, methanol extract contained the most potentially bioactive compounds (16α-hydroxycleroda-3,13 (14) Z-dien-15,16-olide; 14-. beta.-H-pregna; and isochiapin B). Isochiapin B was revealed as the only compound that had no violation of the rule of five. All three compounds could hypothetically contribute to the antidiabetic activity of the methanol extract from P. emblica stem barks by inhibiting diabetes-related enzymes and interacting with nuclear receptors. Moderate cytotoxicity of ethyl acetate and methanol extract, respectively, further suggests their bioactivities.