{
  "abstract": "Novel imidazolidin-4-one derivatives (F 7 -F 11 ) have been synthesized via cyclization reactions of the corresponding hydrazones with glycine in absolute ethanol. The synthesized compounds were characterized by FT-IR, 1 H NMR, 13 C NMR, elemental analysis and thin-layer chromatography. The antibacterial activity of the compounds was tested against Staphylococcus aureus and Escherichia coli bacteria using the agar well diffusion method at three concentrations, where ampicillin served as a reference antibiotic. Compound [F 9 ] had the maximum zone of inhibition for S. aureus bacteria (26 mm) and compound [F 8 ] had the maximum zone of inhibition for E. coli bacteria (20 mm) at 0.01 mg/mL. The electronic properties of the studied compounds were determined by density functional theory at the B3LYP/6-311G(2d,2p) level of theory. [F 9 ] had the minimum chemical hardness (η = 0.0622) and the maximum global electrophilicity index (ω = 0.4415). The predictions of physicochemical and drug-like properties obtained by using SwissADME were found to provide theoretical insights into the investigated compounds. Molecular docking of the compounds was performed against biotin carboxylase enzyme of E. coli (PDB ID: 3JZF) and biotin protein ligase of S. aureus (PDB ID: 4DQ2). [F 8 ,F 9 ] had good predicted docking scores of −6.3 and −7.5 kcal/mol, respectively.",
  "abstract_shown": true,
  "affiliations": [
    "Tikrit University, College of Education for Pure Science, Chemistry Department, Iraq; Corresponding author.",
    "Department of Medical Laboratory Techniques, Al-Hawija Technical Institute, Northern, Iraq",
    "Tikrit University, College of Education for Pure Science, Chemistry Department, Iraq",
    "Ministry of Education, Salah al-Din Education Directorate, Tikrit, Iraq",
    "Department of General Sciences, College of Basic Education-Haditha, Anbar University, Iraq"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 6,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Khalid A. Al-Badrany"
    },
    {
      "affs": [
        1
      ],
      "name": "W.M.R. Al-joboury"
    },
    {
      "affs": [
        2
      ],
      "name": "Yosef Othman Homeda"
    },
    {
      "affs": [
        3
      ],
      "name": "Jamil N. Saleh"
    },
    {
      "affs": [
        3
      ],
      "name": "Mohammed J. Saleh"
    },
    {
      "affs": [
        4
      ],
      "name": "Aws Z. Abdulmajeed"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/d57v9jssnexyd.bib",
  "cited_by": 0,
  "doi": "10.1016/j.rechem.2026.103986",
  "fulltext_url": "http://www.sciencedirect.com/science/article/pii/S2211715626009604",
  "id": "d57v9jssnexyd",
  "issns": [
    "2211-7156"
  ],
  "landing_url": "https://doi.org/10.1016/j.rechem.2026.103986",
  "language": "en",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "lcc",
      "QD1-999"
    ],
    [
      "openalex",
      "1605|Synthesis and biological activity"
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  "openalex": "W7223109455",
  "pdf_url": "https://www.sciencedirect.com/science/article/pii/S2211715626009604/pdf",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-30",
  "publisher": "Elsevier",
  "ris": "https://research.draconitic.com/paper/d57v9jssnexyd.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T13:44:58Z",
      "native_id": "d4072802b3aa4896a65369cc148440d8",
      "source": "doaj",
      "url": "https://doi.org/10.1016/j.rechem.2026.103986"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1605|Synthesis and biological activity",
      "subfield": "organic"
    }
  ],
  "title": "Synthesis, characterization, biological activity, density functional theory (DFT) and molecular docking of some new imidazolidin-4-one derivatives",
  "title_text": "Synthesis, characterization, biological activity, density functional theory (DFT) and molecular docking of some new imidazolidin-4-one derivatives",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T13:44:58Z",
  "url": "https://research.draconitic.com/paper/d57v9jssnexyd",
  "venue": "Results in Chemistry",
  "versions": []
}