RT Journal Article T1 Lobularia libyca: phytochemical profiling, antioxidant and antimicrobial activity using in vitro and In silico studies A1 Benchikha, Naima A1 Chelalba, Imane A1 Debbeche, Hanane A1 Messaoudi, Mohammed A1 Begaa, Samir A1 Larkem, Imane A1 Amara, Djilani Ghamem A1 Rebiai, Abdelkrim A1 Simal Gándara, Jesús A1 Sawicka, Barbara A1 Atanassova, Maria A1 Youssef, Fadia S. K1 3328 Procesos Tecnológicos K1 2414.08 Procesos Microbianos K1 3309.20 Propiedades de Los Alimentos AB Lobularia libyca (L. libyca) is a traditional plant that is popular for its richness in phenolic compounds and flavonoids. The aim of this study was to comprehensively investigate the phytochemical profile by liquid chromatography, electrospray ionization and tandem mass spectrometry (LC-ESI-MS), the mineral contents and the biological properties of L. libyca methanol extract. L. libyca contains significant amounts of phenolic compounds and flavonoids. Thirteen compounds classified as flavonoids were identified. L. libyca is rich in nutrients such as Na, Fe and Ca. Moreover, the methanol extract of L. libyca showed significant antioxidant activity without cytotoxic activity on HCT116 cells (human colon cancer cell line) and HepG2 cells (human hepatoma), showing an inhibition zone of 13 mm in diameter. In silico studies showed that decanoic acid ethyl ester exhibited the best fit in β-lactamase and DNA gyrase active sites; meanwhile, oleic acid showed the best fit in reductase binding sites. Thus, it can be concluded that L. libyca can serve as a beneficial nutraceutical agent, owing to its significant antioxidant and antibacterial potential and due to its richness in iron, calcium and potassium, which are essential for maintaining a healthy lifestyle. PB Molecules SN 14203049 YR 2022 FD 2022-06-10 LK http://hdl.handle.net/11093/3628 UL http://hdl.handle.net/11093/3628 LA eng NO Molecules, 27(12): 3744 (2022) DS Investigo RD 10-dic-2024