{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T04:57:57Z","timestamp":1787029077057,"version":"build-2736575974"},"reference-count":65,"publisher":"MDPI AG","issue":"12","license":[{"start":{"date-parts":[[2022,6,10]],"date-time":"2022-06-10T00:00:00Z","timestamp":1654819200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>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 \u03b2-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.<\/jats:p>","DOI":"10.3390\/molecules27123744","type":"journal-article","created":{"date-parts":[[2022,6,12]],"date-time":"2022-06-12T22:37:20Z","timestamp":1655073440000},"page":"3744","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["Lobularia libyca: Phytochemical Profiling, Antioxidant and Antimicrobial Activity Using In Vitro and In Silico Studies"],"prefix":"10.3390","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5957-0751","authenticated-orcid":false,"given":"Naima","family":"Benchikha","sequence":"first","affiliation":[{"name":"Chemistry Department, University of Hamma Lakhdar El-Oued, P.O. Box 789, El-Oued 39000, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Imane","family":"Chelalba","sequence":"additional","affiliation":[{"name":"Chemistry Department, University of Hamma Lakhdar El-Oued, P.O. Box 789, El-Oued 39000, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hanane","family":"Debbeche","sequence":"additional","affiliation":[{"name":"Chemistry Department, University of Hamma Lakhdar El-Oued, P.O. Box 789, El-Oued 39000, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3536-6358","authenticated-orcid":false,"given":"Mohammed","family":"Messaoudi","sequence":"additional","affiliation":[{"name":"Chemistry Department, University of Hamma Lakhdar El-Oued, P.O. Box 789, El-Oued 39000, Algeria"},{"name":"Nuclear Research Centre of Birine, P.O. Box 180, Ain Oussera 17200, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1841-2153","authenticated-orcid":false,"given":"Samir","family":"Begaa","sequence":"additional","affiliation":[{"name":"Nuclear Research Centre of Birine, P.O. Box 180, Ain Oussera 17200, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Imane","family":"Larkem","sequence":"additional","affiliation":[{"name":"Agronomy Department, University of Mohamed Khider Biskra, P.O. Box 700, Biskra 07000, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Djilani Ghamem","family":"Amara","sequence":"additional","affiliation":[{"name":"Chemistry Department, University of Hamma Lakhdar El-Oued, P.O. Box 789, El-Oued 39000, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4353-7441","authenticated-orcid":false,"given":"Abdelkrim","family":"Rebiai","sequence":"additional","affiliation":[{"name":"Chemistry Department, University of Hamma Lakhdar El-Oued, P.O. Box 789, El-Oued 39000, Algeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9215-9737","authenticated-orcid":false,"given":"Jesus","family":"Simal-Gandara","sequence":"additional","affiliation":[{"name":"Nutrition and Bromatology Group, Department of Analytical Chemistry and Food Science, Faculty of Food Science and Technology, University of Vigo\u2014Ourense Campus, 32004 Ourense, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8183-7624","authenticated-orcid":false,"given":"Barbara","family":"Sawicka","sequence":"additional","affiliation":[{"name":"Department of Plant Production Technology and Commodities Science, University of Life Science in Lublin, Akademicka 15 Str., 20-950 Lublin, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maria","family":"Atanassova","sequence":"additional","affiliation":[{"name":"Nutritional Scientific Consulting, Chemical Engineering, University of Chemical Technology and Metallurgy, 1734 Sofia, Bulgaria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5871-2639","authenticated-orcid":false,"given":"Fadia S.","family":"Youssef","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, Faculty of Pharmacy, Ain Shams University, Cairo 11566, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2022,6,10]]},"reference":[{"key":"ref_1","first-page":"177","article-title":"Novel quercetin glycoside with promising hepatoprotective activity isolated from Lobularia libyca (viv). 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