{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,10]],"date-time":"2026-10-10T06:29:20Z","timestamp":1791613760938,"version":"4.3.4"},"reference-count":53,"publisher":"MDPI AG","issue":"23","license":[{"start":{"date-parts":[[2024,12,2]],"date-time":"2024-12-02T00:00:00Z","timestamp":1733097600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004242","name":"Princess Nourah bint Abdulrahman University","doi-asserted-by":"publisher","award":["PNURSP2024R325"],"award-info":[{"award-number":["PNURSP2024R325"]}],"id":[{"id":"10.13039\/501100004242","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Multidrug-resistant (MDR) Salmonella remains a significant global health threat. This study aimed to explore the potential of essential oil components as novel inhibitors of the Salmonella MDR efflux pumps AcrAB and AcrD. Salmonella isolates were characterized for serotype, antibiotic resistance, and efflux pump activity. Essential oil components were screened for inhibitory effects using phenotypic and genotypic methods. In silico docking and molecular dynamics simulations were conducted to investigate binding interactions and stability. Salmonella\u00a0Typhimurium was the predominant serotype with high MDR rates. Efflux pump activity was prevalent. Cumin and cinnamon oils demonstrated promising inhibitory effects on these pumps. Molecular docking simulations revealed strong binding affinities of analyzed compounds to the AcrAB and AcrD binding pocket. The 2-methyl-1-(p-tolyl)propan-2-ol exhibited higher stability within the AcrAB binding pocket compared to (1S,3R,5R)-1-isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol within the AcrD binding pocket. Treatment with these oils significantly downregulated efflux pump genes (robA, acrB, mdtB, acrF, acrD, soxS, mdsB, marA). The novel approach of combining in silico and molecular dynamics simulations with precise gene expression analysis provides a valuable framework for future studies aimed at combating MDR Salmonella efflux pumps.<\/jats:p>","DOI":"10.3390\/ijms252312949","type":"journal-article","created":{"date-parts":[[2024,12,2]],"date-time":"2024-12-02T06:58:58Z","timestamp":1733122738000},"page":"12949","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":33,"title":["Natural Inhibitors of Salmonella MDR Efflux Pumps AcrAB and AcrD: An Integrated In Silico, Molecular, and In Vitro Investigation"],"prefix":"10.3390","volume":"25","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0825-9776","authenticated-orcid":false,"given":"Azza S.","family":"El-Demerdash","sequence":"first","affiliation":[{"name":"Laboratory of Biotechnology, Department of Microbiology, Agricultural Research Center (ARC), Animal Health Research Institute (AHRI), Zagazig 44516, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shimaa A.","family":"Kamel","sequence":"additional","affiliation":[{"name":"Department of Botany and Microbiology, Faculty of Science, Zagazig University, Zagazig 44519, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eman Y. T.","family":"Elariny","sequence":"additional","affiliation":[{"name":"Department of Botany and Microbiology, Faculty of Science, Zagazig University, Zagazig 44519, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2434-8963","authenticated-orcid":false,"given":"Hanan","family":"Henidi","sequence":"additional","affiliation":[{"name":"Research Department, Natural and Health Sciences Research Center, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yasmin","family":"Mahran","sequence":"additional","affiliation":[{"name":"Research Department, Natural and Health Sciences Research Center, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3075-5514","authenticated-orcid":false,"given":"Hadil","family":"Alahdal","sequence":"additional","affiliation":[{"name":"Department of Biology, College of Sciences, Princess Nourah bint Abdulrahman University, Riyadh 13415, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5153-7399","authenticated-orcid":false,"given":"Abdulrahman M.","family":"Saleh","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Cairo University, KasrEl-Aini Street, Cairo 11562, Egypt"},{"name":"Infection Control and Epidemiology Surveillance Unit, Aweash El-Hagar Family Medicine Center, Ministry of Health and Population (MOHP), Mansoura 35711, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5081-7655","authenticated-orcid":false,"given":"Rehab A.","family":"Ibrahim","sequence":"additional","affiliation":[{"name":"Department of Botany and Microbiology, Faculty of Science, Zagazig University, Zagazig 44519, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,12,2]]},"reference":[{"key":"ref_1","first-page":"21","article-title":"Salmonellosis: A Major Foodborne Disease of Global Significance","volume":"42","author":"Pal","year":"2015","journal-title":"Beverage Food World"},{"key":"ref_2","doi-asserted-by":"crossref","unstructured":"Mina, S.A., Hasan, M.Z., Hossain, A.K.M.Z., Barua, A., Mirjada, M.R., and Chowdhury, A.M.M.A. (2023). 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