SPECTROSCOPIC AND COMPUTATIONAL PROFILING OF Pteleopsis habeensis LEAF EXTRACT AS POTENTIAL SOURCE OF BIOACTIVE ANTIOXIDANT AND ANTIDIABETIC AGENTS

Pteleopsis habeensis, a medicinal plant native to West Africa, has been traditionally used for managing diabetes and oxidative stress-related disorders. This study reports the isolation and characterization of stearic acid and undecan-1-ol from the leaves of P. habeensis, along with their computational evaluation as potential therapeutic agents. The compounds were isolated using column chromatography and characterized through GC-MS, FTIR, and NMR spectroscopy. CB-Dock was used for molecular docking studies against superoxide dismutase (SOD), α-amylase, and α-glucosidase. The results revealed that undecan-1-ol exhibited moderate binding affinities (-4.6 to -4.3 kcal/mol) to all targets, forming key hydrogen bonds with catalytic residues. Stearic acid showed weaker binding (-5.6 to -3.3 kcal/mol) primarily through hydrophobic interactions. In silico ADMET prediction using SwissADME and ProTox-III indicated that undecan-1-ol complies with Lipinski's rule of five with no hepatotoxicity concerns, while stearic acid violated two Lipinski rules. The results suggest that undecan-1-ol from P. habeensis may serve as a lead compound for developing antioxidant and antidiabetic agents, warranting further in vitro and in vivo validation. Key words: Pteleopsis habeensis, stearic acid, undecan-1-ol, molecular docking, antioxidant, antidiabetic