AUTHOR=Djeghim Hanène , Benouchenne Djamila , Mokrani El Hassen , Alsaeedi Huda , Cornu David , Bechelany Mikhael , Barhoum Ahmed TITLE=Antioxidant, Anti-Alzheimer’s, anticancer, and cytotoxic properties of peanut oil: in vitro, in silico, and GC-MS analysis JOURNAL=Frontiers in Chemistry VOLUME=Volume 12 - 2024 YEAR=2024 URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2024.1487084 DOI=10.3389/fchem.2024.1487084 ISSN=2296-2646 ABSTRACT=Peanut oil, also known as groundnut oil, is widely appreciated for its mild flavor, high smoking point, and associated health benefits. This study provides a comprehensive analysis of peanut oil from Algeria, focusing on its chemical composition, antioxidant properties, and anti-Alzheimer's potential through both experimental and computational methods. Gas chromatography-mass spectrometry (GC-MS) revealed 20 chemical compounds in the oil, with oleic acid as the most abundant at 41.98%. Antioxidant activity was assessed using DPPH and CUPRAC assays, showing an IC50 value of 265.96±14.85 µg/mL for the CUPRAC assay. The oil exhibited moderate inhibitory effects on butyrylcholinesterase (BChE), with 36.47±3.71% enzyme inhibition at 200 µg/mL. In silico docking studies identified 6-methyl octahydro-coumarin with a notable docking score of -15.86 kJ/mol against BChE, although it was less effective compared to Galantamine, which had a score of -23.4 kJ/mol. Additionally, the physicochemical properties, evaluated using Lipinski's rule of five, showed that oleic acid and palmitic acid have logP values of 5.71 and 5.20, respectively, indicating their drug-like potential. Cytotoxicity assessments highlighted oleic acid, palmitic acid, and stearic acid as effective against melanoma (A2058 and SK-MEL-1) and non-small cell lung cancer (NCI-H838) cell lines, while oxiraneoctanoic acid, 3-octyl, demonstrated significant potential against leukemia (H9). These findings suggest that peanut oil holds considerable promise for antioxidant, anti-Alzheimer, and anticancer applications, with specific compounds emerging as potential candidates for further pharmaceutical development.