{
    "abstract": "Multi-drug-resistant (MDR) pathogens represent a critical global health threat, necessitating the development of novel antimicrobial agents with broad-spectrum activity and minimal toxicity. This study investigates the antimicrobial and anti-biofilm properties of 4-Allyl-2-methoxyphenol (eugenol, EU) and (E)-3-Phenylprop-2-enal (cinnamaldehyde, CN) against 19 clinically significant pathogens through a combination of in-vitro assays and in-silico analyses. EU displayed remarkable activity, particularly against Aspergillus niger (20.5\u00a0\u00b1\u00a00.5\u00a0mm), and strong binding affinities with key protein targets, including peptide deformylase and \u03b2-carbonic anhydrase, with binding free energies (\u0394G) ranging from -12.75 to -0.60\u00a0kcal/mol. CN exhibited exceptional activity against Staphylococcus epidermidis (29.6\u00a0\u00b1\u00a00.4\u00a0mm) and Candida albicans (36.6\u00a0\u00b1\u00a00.4\u00a0mm), supported by a significant binding affinity with \u03b2-carbonic anhydrase (\u0394G: -5.23\u00a0kcal/mol). Dissociation constants (K",
    "authors": [
        {
            "affiliation": "Department of Pharmaceutics, College of Pharmacy, Qassim University, Buraydah 51452, Saudi Arabia. Electronic address: ka.qurishe@qu.edu.sa.",
            "firstname": "Kamal A",
            "initials": "KA",
            "lastname": "Qureshi"
        },
        {
            "affiliation": "NextGen Life Sciences Pvt. Ltd., New Delhi 110092, India. Electronic address: adilparvez.92@gmail.com.",
            "firstname": "Adil",
            "initials": "A",
            "lastname": "Parvez"
        },
        {
            "affiliation": "Division of Biological and Environmental Sciences and Engineering (BESE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955, Saudi Arabia. Electronic address: mariusz.jaremko@kaust.edu.sa.",
            "firstname": "Mariusz",
            "initials": "M",
            "lastname": "Jaremko"
        }
    ],
    "conclusions": null,
    "copyrights": "Copyright \u00a9 2025 Elsevier Inc. All rights reserved.",
    "doi": "10.1016/j.bioorg.2025.108199",
    "journal": "Bioorganic chemistry",
    "keywords": [
        "Absorption, distribution, metabolism, excretion, and toxicity (ADMET)",
        "Anti-biofilm",
        "Antibiotic resistance",
        "Antimicrobial",
        "Dissociation constant (K(d))",
        "Half maximal inhibitory concentration (IC(50))",
        "Molecular docking",
        "Molecular dynamics simulation",
        "Toxicity"
    ],
    "methods": null,
    "publication_date": "2025-01-25",
    "pubmed_id": "39855115",
    "results": null,
    "title": "Repurposing eugenol and cinnamaldehyde as potent antimicrobial agents: A comprehensive in-vitro and in-silico study.",
    "xml": "<Element 'PubmedArticle' at 0x7885033debb0>"
}