{
  "abstract": "Bovine serum albumin (BSA) serves as a key model for investigating protein–ligand interactions and is crucial for understanding drug pharmacokinetics and developing biomedical probes. This study presents a comprehensive comparative analysis of the binding of fluorescein and rhodamine B to BSA, employing UV–vis absorption, fluorescence, molecular docking, and 1000 ns molecular dynamics (MD) simulations. The results revealed competitive binding, with rhodamine B exhibiting a greater affinity (ΔGMMGBSA = −48.17 kcal/mol) than fluorescein (−23.16 kcal/mol), which was supported by fluorescence quenching and binding analyses. Molecular docking confirmed Sudlow’s site I as the primary binding site, whereas MD simulations highlighted stable complexes driven by van der Waals and electrostatic forces, particularly for rhodamine B. Unexpectedly, the superior affinity of rhodamine B under physiological pH deviates from lipophilic trends. These findings enhance the molecular understanding of dye–protein interactions, providing a robust basis for designing advanced fluorescent probes, drug conjugates, and diagnostic platforms.",
  "abstract_shown": true,
  "affiliations": [
    "ITMO University , , Lomonosova St. 9 , ,",
    "Sechenov First Moscow State Medical University (Sechenov University) , , ,"
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 8,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Samson Olusegun Afolabi",
      "orcid": "0000-0002-6174-5044"
    },
    {
      "affs": [
        0
      ],
      "name": "Viktoria A. Feoktistova"
    },
    {
      "affs": [
        0
      ],
      "name": "Dmitrii Sbytov",
      "orcid": "0009-0005-2995-2704"
    },
    {
      "affs": [
        0
      ],
      "name": "Oleg Novikov"
    },
    {
      "affs": [
        0
      ],
      "name": "Anna Botnar"
    },
    {
      "affs": [
        0
      ],
      "name": "Sviatlana Ulasevich"
    },
    {
      "affs": [
        0
      ],
      "name": "Ekaterina V. Skorb",
      "orcid": "0000-0003-0888-1693"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Sergey Shityakov",
      "orcid": "0000-0002-6953-9771"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/3vndzs6k38dj7.bib",
  "cited_by": 0,
  "doi": "10.1021/acsomega.5c12646",
  "fulltext_url": "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13718241/?tool=EBI",
  "id": "3vndzs6k38dj7",
  "issns": [
    "2470-1343"
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  "landing_url": "https://pubs.acs.org/acsodf/article/11/42/64388/5450245/Comparative-Analysis-of-the-Binding",
  "language": "eng",
  "licence": "CC-BY-NC-ND-4.0",
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  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "heading",
      "Article"
    ],
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      "openalex",
      "1312|Protein Interaction Studies and Fluorescence Analysis"
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  ],
  "openalex": "W7221687883",
  "pdf_url": "https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c12646",
  "pmcid": "PMC13718241",
  "pmid": "42959737",
  "published": "2026-10-13",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/3vndzs6k38dj7.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:39Z",
      "native_id": "10.1021/acsomega.5c12646",
      "source": "crossref",
      "url": "https://pubs.acs.org/acsodf/article/11/42/64388/5450245/Comparative-Analysis-of-the-Binding"
    },
    {
      "first_seen": "2026-10-31T00:20:37Z",
      "native_id": "PMC:PMC13718241",
      "source": "europepmc",
      "url": "https://europepmc.org/article/PMC/PMC13718241"
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    {
      "first_seen": "2026-11-01T00:20:52Z",
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      "url": "https://europepmc.org/article/MED/42959737"
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    {
      "first_seen": "2026-11-02T12:22:19Z",
      "native_id": "PMC13718241",
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      "url": "https://doi.org/10.1021/acsomega.5c12646"
    }
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  "subjects": [
    {
      "field": "biochemistry",
      "origin": "openalex:1312|Protein Interaction Studies and Fluorescence Analysis",
      "subfield": "molecular-biology"
    }
  ],
  "title": "Comparative Analysis of the Binding Characteristics of Fluorescein and Rhodamine B with Bovine Serum Albumin",
  "title_text": "Comparative Analysis of the Binding Characteristics of Fluorescein and Rhodamine B with Bovine Serum Albumin",
  "type": "peer-reviewed",
  "updated_at": "2026-11-02T12:22:19Z",
  "url": "https://research.draconitic.com/paper/3vndzs6k38dj7",
  "venue": "ACS Omega",
  "versions": []
}