{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T13:37:02Z","timestamp":1785418622449,"version":"3.56.0"},"reference-count":81,"publisher":"MDPI AG","issue":"8","license":[{"start":{"date-parts":[[2026,4,15]],"date-time":"2026-04-15T00:00:00Z","timestamp":1776211200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100000780","name":"European Union","doi-asserted-by":"crossref","award":["1836"],"award-info":[{"award-number":["1836"]}],"id":[{"id":"10.13039\/501100000780","id-type":"DOI","asserted-by":"crossref"}]},{"award":["1836"],"award-info":[{"award-number":["1836"]}],"id":[{"id":"https:\/\/ror.org\/019w4f821","id-type":"ROR","asserted-by":"publisher"}]},{"name":"Scientific Research and Innovation","award":["Convention MESRSI-UCD, N\u00b011, 2023"],"award-info":[{"award-number":["Convention MESRSI-UCD, N\u00b011, 2023"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>This study aimed to evaluate the physicochemical characterization and antibacterial activity of the essential oil (EO) extracted from the leaves of Mentha rotundifolia (L.) Huds. Molecular interactions between bioactive ligand compounds, target bacterial proteins and DNA gyrase subunit B (GyrB), as well as an in silico ADMET prediction study, were also conducted. The EO was obtained by hydrodistillation of the plant leaves. The Gas Chromatography\u2013Tandem Mass Spectrometry (GC-MS\/MS) analysis revealed Rotundifolone (27.95%) and carvacrol (19.48%) as the major constituents. Other components identified included Piperitenone (6.09%), Cinerolon (4.73%), and Pulegone (4.47%). Antibacterial activity was assessed against six bacterial strains: Enterococcus faecalis CIP 103214, Salmonella Typhi CIP 5535, Staphylococcus aureus ATCC 9144, Bacillus cereus ATCC 33019, Streptococcus agalactiae IPM 24842, and Providencia alcalifaciens CIP 82.90T. The disk diffusion assay showed a strong inhibitory effect against E. faecalis (inhibition zone: 19.66 \u00b1 0.3 mm), while the lowest minimum inhibitory concentration (MIC) was observed for B. cereus (0.58 \u00b1 0.01 \u00b5L\/mL). The time-kill kinetics assay showed a progressive inactivation of all tested bacterial strains after their exposure to EO for 8 h at MICs. Furthermore, Molecular docking showed remarkable affinities between EO components, target proteins and DNA gyrase subunit B (GyrB). Moreover, the in silico ADMET predictions provided preliminary insights into the safety-related properties of the major EO components. In addition, EO compounds have the potential to interact with bacterial structures. These findings highlight the in vitro antibacterial potential of the M. rotundifolia EO and suggest its promise as a natural source of bioactive compounds.<\/jats:p>","DOI":"10.3390\/ijms27083527","type":"journal-article","created":{"date-parts":[[2026,4,15]],"date-time":"2026-04-15T12:25:30Z","timestamp":1776255930000},"page":"3527","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Integrated Evaluation of Mentha rotundifolia (L.) Huds Essential Oil: Physicochemical Characterization, Antibacterial Effect and In Silico ADMET Prediction"],"prefix":"10.3390","volume":"27","author":[{"given":"Meryem","family":"Benyamane","sequence":"first","affiliation":[{"name":"Laboratory of Marine Biotechnologies and Environment (BIOMARE), Faculty of Sciences, Chouaib Doukkali University, P.O. Box 20, El Jadida 24000, Morocco"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Soukaina","family":"Elorchi","sequence":"additional","affiliation":[{"name":"Molecular Modeling and Spectroscopy Research Team, Department of Chemistry, Choua\u00efb Doukkali University, P.O. Box 20, El Jadida 24000, Morocco"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Imane","family":"Brahimi","sequence":"additional","affiliation":[{"name":"Laboratory of Marine Biotechnologies and Environment (BIOMARE), Faculty of Sciences, Chouaib Doukkali University, P.O. Box 20, El Jadida 24000, Morocco"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nouhaila","family":"Belasla","sequence":"additional","affiliation":[{"name":"Laboratory of Marine Biotechnologies and Environment (BIOMARE), Faculty of Sciences, Chouaib Doukkali University, P.O. Box 20, El Jadida 24000, Morocco"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammed","family":"Salah","sequence":"additional","affiliation":[{"name":"Molecular Modeling and Spectroscopy Research Team, Department of Chemistry, Choua\u00efb Doukkali University, P.O. Box 20, El Jadida 24000, Morocco"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6596-4108","authenticated-orcid":false,"given":"Faouzi","family":"Errachidi","sequence":"additional","affiliation":[{"name":"Applied Organic Chemistry Laboratory, Faculty of Science and Technology, Sidi Mohammed Ben Abdellah University, P.O. Box 2202, Fez 30050, Morocco"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8693-1716","authenticated-orcid":false,"given":"Giulia","family":"Tabanelli","sequence":"additional","affiliation":[{"name":"Department of Agricultural and Food Sciences, University of Bologna, 40127 Bologna, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8005-4073","authenticated-orcid":false,"given":"Vida","family":"\u0160imat","sequence":"additional","affiliation":[{"name":"Department of Marine Studies, University of Split, 21000 Split, Croatia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0655-0105","authenticated-orcid":false,"given":"Fatih","family":"Ozogul","sequence":"additional","affiliation":[{"name":"Department of Seafood Processing Technology, Faculty of Fisheries, \u00c7ukurova University, Balcal\u0131, Adana 01330, T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chakib El","family":"Adlouni","sequence":"additional","affiliation":[{"name":"Laboratory of Marine Biotechnologies and Environment (BIOMARE), Faculty of Sciences, Chouaib Doukkali University, P.O. Box 20, El Jadida 24000, Morocco"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8632-0536","authenticated-orcid":false,"given":"Abdellah","family":"Zinedine","sequence":"additional","affiliation":[{"name":"Laboratory of Marine Biotechnologies and Environment (BIOMARE), Faculty of Sciences, Chouaib Doukkali University, P.O. Box 20, El Jadida 24000, Morocco"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,4,15]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Fierascu, R.C., Fierascu, I., Ortan, A., Georgiev, M.I., and Sieniawska, E. (2020). Innovative Approaches for Recovery of Phytoconstituents from Medicinal\/Aromatic Plants and Biotechnological Production. Molecules, 25.","DOI":"10.3390\/molecules25020309"},{"key":"ref_2","doi-asserted-by":"crossref","unstructured":"Pinto, L., Tapia-Rodr\u00edguez, M.R., Baruzzi, F., and Ayala-Zavala, J.F. (2023). 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