{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,3]],"date-time":"2026-11-03T22:54:19Z","timestamp":1793746459890,"version":"4.6.1"},"reference-count":59,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2024,7,4]],"date-time":"2024-07-04T00:00:00Z","timestamp":1720051200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100002383","name":"King Saud University","doi-asserted-by":"publisher","award":["RSP 2024R119"],"award-info":[{"award-number":["RSP 2024R119"]}],"id":[{"id":"10.13039\/501100002383","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Chem."],"abstract":"\n Introduction<\/jats:title>\n \n The aim of this study was to evaluate the antioxidant, antimicrobial, and preservative efficacy of\n Thymus broussonetii<\/jats:italic>\n Boiss. essential oil (EO) in a topically applied formulation using a challenge test.\n <\/jats:p>\n <\/jats:sec>\n \n Methods<\/jats:title>\n \n The essential oil was extracted from the aerial part of\n T. broussonetii<\/jats:italic>\n using hydrodistillation, and the obtained EO was further analyzed by gas chromatography\/mass spectrometry (GC\/MS). The antioxidant effect of the EO was evaluated using three methods: the inhibition of free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH), \u03b2-carotene\u2013linoleic acid, and the ferric reducing antioxidant power (FRAP) methods. The antimicrobial activity and the minimum inhibitory concentration (MIC) of this EO were assayed by the disk-diffusion method and the broth microdilution method, respectively. The preservative efficacy of\n T. broussonetii<\/jats:italic>\n EO was assayed at 1% and 2% (v\/w) in a topical cream formulation using a challenge test against standard-specific microorganisms recommended by the European Pharmacopoeia. Furthermore, the identified phytochemical compounds were docked for their effect on nicotinamide adenine dinucleotide phosphate oxidase, human casein kinase 1 alpha 1 (CSNK1A1), glycogen synthase kinase 3,\n Staphylococcus aureus<\/jats:italic>\n nucleoside diphosphate kinase,\n Escherichia coli<\/jats:italic>\n beta-ketoacyl-[acyl-carrier protein] synthase,\n Pseudomonas aeruginosa<\/jats:italic>\n LasR ligand-binding domain, and sterol 14-alpha demethylase (CYP51) from\n Candida albicans<\/jats:italic>\n . The ADME\/toxicity was predicted by analyzing the absorption, distribution, metabolism, and excretion parameters.\n <\/jats:p>\n <\/jats:sec>\n \n Results and discussion<\/jats:title>\n \n chemical composition of the EO revealed the presence of thymol (63.09%), p-cymene (11%), and \u03b3-terpinene (8.99%) as the major components. The antioxidant assays revealed that the essential oil exhibited strong antioxidant activity, as indicated by the minimum inhibitory concentration IC\n 50<\/jats:sub>\n (IC\n 50<\/jats:sub>\n = 210 \u00b1 0.3\u00a0\u03bcg\/mL for the DPPH assay, IC\n 50<\/jats:sub>\n = 145 \u00b1 0.1\u00a0\u03bcg\/mL for the \u03b2-carotene assay, and IC\n 50<\/jats:sub>\n = 84 \u00b1 0.21\u00a0\u03bcg\/mL for the FRAP assay) when compared to quercetin and butylated hydroxytoluene (BHT) as controls. The investigated essential oil exhibited important antimicrobial activity against all the tested microorganisms, and the MICs of the EO against bacteria and fungi were 0.02%\u20131%. Moreover, the EO of\n T. broussonetii<\/jats:italic>\n evaluated at 2% (v\/w) in a cream formulation succeeded in satisfying the A criteria for preservation efficacy against\n S. aureus<\/jats:italic>\n ,\n E. coli<\/jats:italic>\n , and\n Aspergillus brasiliensis<\/jats:italic>\n but exhibited less efficacy against\n P. aeruginosa<\/jats:italic>\n (1.78 log reduction in the number of CFU\/g after 7\u00a0days of evaluation) and\n C. albicans<\/jats:italic>\n (1.09 log reduction in the number of CFU\/g after 14\u00a0days of evaluation) when compared to the synthetic preservative phenoxyethanol 1% (v\/w).\n In silico<\/jats:italic>\n results showed that the antimicrobial activity of\n T. broussonetii<\/jats:italic>\n EO is mostly attributed to thymol, terpinen-4-ol, and aromadendrene, while the antioxidant activity is attributed to thymol. These results indicate that the EO of\n T. broussonetii<\/jats:italic>\n possesses important antimicrobial and antioxidant properties and can, therefore, be used as a natural preservative ingredient in the cosmetic industry.\n <\/jats:p>\n <\/jats:sec>","DOI":"10.3389\/fchem.2024.1402310","type":"journal-article","created":{"date-parts":[[2024,7,4]],"date-time":"2024-07-04T00:54:56Z","timestamp":1720054496000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":18,"title":["The chemical composition and the preservative, antimicrobial, and antioxidant effects of Thymus broussonetii Boiss. essential oil: an in vitro and in silico approach"],"prefix":"10.3389","volume":"12","author":[{"given":"Smahane","family":"Boukhira","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fatima Ez-Zahra","family":"Amrati","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohamed","family":"Chebaibi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Andriy","family":"Grafov","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ramzi A.","family":"Mothana","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hanan M.","family":"Al-Yousef","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dalila","family":"Bousta","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1965","published-online":{"date-parts":[[2024,7,4]]},"reference":[{"key":"B1","doi-asserted-by":"publisher","first-page":"1514","DOI":"10.3390\/antiox11081514","article-title":"Antioxidant, anti-proliferative activity and chemical fingerprinting of centaureacalcitrapa against breast cancer cells and molecular docking of caspase-3","volume":"11","author":"Aboul-Soud","year":"","journal-title":"Antioxidants"},{"key":"B2","article-title":"Apoptosis-mediated antiproliferative activity of Calligonum comosum against human breast cancer cells, and molecular docking analysis of its major polyphenolics to caspase-3","volume":"2009","author":"Aboul-Soud","year":"","journal-title":"Front. 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