{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,5]],"date-time":"2026-10-05T21:26:11Z","timestamp":1791235571641,"version":"4.1.0"},"reference-count":52,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2024,6,20]],"date-time":"2024-06-20T00:00:00Z","timestamp":1718841600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Chem."],"abstract":"<jats:p>\n                    <jats:bold>Introduction:<\/jats:bold>\n                    <jats:italic>Coriandrum sativum<\/jats:italic>\n                    L. essential oil (CS-EO) is being evaluated\n                    <jats:italic>in vitro<\/jats:italic>\n                    for its antioxidant and antimicrobial properties, and its volatile compounds are to be identified as part of this exploratory study.\n                  <\/jats:p>\n                  <jats:p>\n                    <jats:bold>Methods:<\/jats:bold>\n                    The processes underlying the\n                    <jats:italic>in vitro<\/jats:italic>\n                    biological properties were explained using\n                    <jats:italic>in silico<\/jats:italic>\n                    simulations, including drug-likeness prediction, molecular docking, and pharmacokinetics (absorption, distribution, metabolism, excretion, and toxicity\u2014ADMET). Chemical screening of CS-EO was conducted using gas chromatography-mass spectrometry (GC-MS). Five\n                    <jats:italic>in vitro<\/jats:italic>\n                    complementary techniques were used to assess the antioxidant activity of CS-EO: reducing power (RP), 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2\u2032-azinobis (3-ethylbenzothiazoline-6-sulfonate) (ABTS) radical scavenging activity, \u03b2-Carotene bleaching test (BCBT), and phosphomolybdenum assay (TAC).\n                  <\/jats:p>\n                  <jats:p>\n                    <jats:bold>Results:<\/jats:bold>\n                    According to GC-MS analysis, linalool (59.04%), \u03b3-Terpinene (13.02%), and \u03b1-Pinene (6.83%) are the main constituents of CS-EO. Based on the\n                    <jats:italic>in vitro<\/jats:italic>\n                    antioxidant assay results, CS-EO has been found to have a superior antioxidant profile. Its estimated scavenging rates for ABTS\n                    <jats:sup>+<\/jats:sup>\n                    are 0.51 \u00b1 0.04\u00a0mg\/mL, BCBT is 9.02 \u00b1 0.01\u00a0mg\/mL, and CS-EO is 1.52 \u00b1 0.14\u00a0mg\/mL.\n                    <jats:italic>C. sativum<\/jats:italic>\n                    demonstrated 6.13 \u00b1 0.00\u00a0\u03bcg\/mL for reducing power and 213.44 \u00b1 0.45\u00a0mg AAE\/mL for total antioxidant activity. The\n                    <jats:italic>in vitro<\/jats:italic>\n                    antimicrobial activity of CS-EO was assessed against five strains, including two gram-positive bacteria, two gram-negative bacteria, and one fungal strain (\n                    <jats:italic>Candida albicans<\/jats:italic>\n                    ). Significant antibacterial and antifungal activities against all strains were found using the disc-diffusion assay, with zones of inhibition larger than 15\u00a0mm. The microdilution test highlighted the lowest MIC and MBC values with gram-positive bacteria, ranging from 0.0612 to 0.125% v\/v for MIC and 0.125% v\/v for MBC. The fungal strain\u2019s MFC was 1.0% v\/v and its MIC was measured at 0.5%. Based on the MBC\/MIC and MFC\/MIC ratios, CS-EO exhibits bactericidal and fungicidal activity. The ADMET study indicates that the primary CS-EO compounds are good candidates for the development of pharmaceutical drugs due to their favorable pharmacokinetic properties.\n                  <\/jats:p>\n                  <jats:p>\n                    <jats:bold>Conclusion:<\/jats:bold>\n                    These results point to a potential application of this plant as a natural remedy and offer empirical backing for its traditional uses. It is a promising environmentally friendly preservative that can be used extensively in the food and agricultural industries to prevent aflatoxin contamination and fungal growth in stored goods.\n                  <\/jats:p>","DOI":"10.3389\/fchem.2024.1369745","type":"journal-article","created":{"date-parts":[[2024,6,20]],"date-time":"2024-06-20T07:47:58Z","timestamp":1718869678000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":40,"title":["Coriandrum sativum L., essential oil as a promising source of bioactive compounds with GC\/MS, antioxidant, antimicrobial activities: in vitro and in silico predictions"],"prefix":"10.3389","volume":"12","author":[{"given":"Ghizlane","family":"Nouioura","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohamed","family":"El fadili","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Naoufal","family":"El Hachlafi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Souad","family":"Maache","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ibrahim","family":"Mssillou","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hatem","family":"A. 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