{
  "abstract": "This study aimed to evaluate the antioxidant, anticholinesterase, and α-glucosidase (AG) inhibitory activities of the ethanolic leaf extract, characterize its phenolic composition, and investigate the interactions of the major identified phytochemicals with the target enzymes through molecular docking analysis. The phenolic profile was determined by LC-MS/MS, antioxidant activity was assessed using DPPH and ABTS radical scavenging assays, enzyme inhibitory activities against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and AG were evaluated in vitro, and molecular docking was performed to examine ligand-enzyme interactions. Among the analyzed compounds, quercetin, myricetin, fumaric acid, vanillic acid, 4-hydroxybenzoic acid, and salicylic acid were identified as the predominant phenolics in the leaf extract. The extract exhibited DPPH and ABTS radical scavenging activities of approximately 19% and 11%, respectively. It also demonstrated potent enzyme inhibitory activity, with IC₅₀ values of 5.76 ± 0.21 µg/mL for AChE, 3.82 ± 0.17 µg/mL for BChE, and 6.24 ± 0.50 µg/mL for AG. Molecular docking analysis revealed that myricetin and quercetin exhibited the most favorable binding affinities toward AChE, BChE, and AG. Myricetin showed docking scores of -11.188, -9.642, and -7.899 kcal/mol against AChE, BChE, and AG, respectively, supported by hydrogen-bonding, π-π stacking, and hydrophobic interactions within the enzyme active sites. Re-docking validation yielded RMSD values below 2.0 Å for all targets, confirming the reliability of the docking protocol. These findings demonstrate that H. sabdariffa leaf extract is a rich source of bioactive phenolics with promising antioxidant and enzyme inhibitory properties, while molecular docking provides structural evidence supporting the observed biological activities.",
  "abstract_shown": true,
  "affiliations": [
    "Green Biotechnologies Research Centre, School of Agricultural and Environmental Sciences, University of Limpopo, Private Bag X1106, Sovenga 0727, South Africa.",
    "Dogubayazit Ahmed-i Hani Vocational School, Agri Ibrahim Cecen University, Agri 04400, Türkiye.",
    "Central Researching Laboratory, Agri Ibrahim Cecen University, Agri 04100, Türkiye.",
    "Department of Chemistry, Faculty of Science and Art, Erzincan Binali Yıldırım University, Erzincan 24100, Türkiye.",
    "Department of Food Technology, Technical Sciences Vocational School, Atatürk University, Erzurum 25030, Türkiye.",
    "Department of Bioengineering, Faculty of Engineering, Bilecik Şeyh Edebali University, Bilecik 11230, Türkiye.",
    "Department of Biochemistry, Faculty of Pharmacy, Agrı Ibrahim Cecen University, Agri 04100, Türkiye."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 7,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Ashwell Rungano Ndhlala",
      "orcid": "0000-0002-7290-3175"
    },
    {
      "affs": [
        1,
        2
      ],
      "name": "Emrah Dikici",
      "orcid": "0000-0002-3086-8156"
    },
    {
      "affs": [
        3
      ],
      "name": "Sevgi Altın",
      "orcid": "0000-0002-0820-912X"
    },
    {
      "affs": [
        4
      ],
      "name": "Arzu Kavaz Yüksel",
      "orcid": "0000-0001-8292-9259"
    },
    {
      "affs": [
        5
      ],
      "name": "Mesut Işık",
      "orcid": "0000-0002-4677-8104"
    },
    {
      "affs": [
        6
      ],
      "name": "Ahmet Gokhan Aggul"
    },
    {
      "affs": [
        3
      ],
      "name": "Ekrem Köksal"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/983xd6w2qn03x.bib",
  "cited_by": 0,
  "doi": "10.3390/molecules31193374",
  "fulltext_url": "https://europepmc.org/articles/PMC13666032",
  "id": "983xd6w2qn03x",
  "issns": [
    "1420-3049"
  ],
  "landing_url": "https://europepmc.org/article/MED/42883142",
  "language": "eng",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "3004|Hibiscus Plant Research Studies"
    ]
  ],
  "openalex": "W7214124710",
  "pdf_url": "https://europepmc.org/articles/PMC13666032?pdf=render",
  "pmcid": "PMC13666032",
  "pmid": "42883142",
  "published": "2026-09-23",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/983xd6w2qn03x.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:19:16Z",
      "native_id": "MED:42883142",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42883142"
    }
  ],
  "subjects": [
    {
      "field": "medicine",
      "origin": "openalex:3004|Hibiscus Plant Research Studies",
      "subfield": "pharmacology-toxicology"
    }
  ],
  "title": "Phytochemical Phenolic Profile, Cholinesterase and α-Glucosidase Inhibitory Activities Rationalized by Molecular Docking, and Antioxidant Capacity of Hibiscus sabdariffa.",
  "title_text": "Phytochemical Phenolic Profile, Cholinesterase and α-Glucosidase Inhibitory Activities Rationalized by Molecular Docking, and Antioxidant Capacity of Hibiscus sabdariffa.",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:19:16Z",
  "url": "https://research.draconitic.com/paper/983xd6w2qn03x",
  "venue": "Molecules (Basel, Switzerland)",
  "versions": []
}