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Fluorescence quenching experiments show diminished fluorescence intensity indicating that all compounds effectively bind to HSA, with free scutellarein exhibiting slightly higher affinity. Cu(II) coordination reduces quenching efficiency; however, the binding processes remain thermodynamically favorable. UV\u2013Vis spectroscopy confirmed well\u2010defined ground\u2010state HSA\u2013flavonoid complexes with minor indications of subtle protein conformational adjustments. A novel composite scoring function integrating effective free energies and thermodynamic stability was used to compute theoretical free energies. The results are in agreement with experimental results, showing that all ligands preferentially bound in Sudlow site I, while baicalein also samples site III. Per\u2010residue energy decomposition indicates that Cu(II) complexes are stabilized by electrostatic interactions further from the intrinsic fluorophore Trp\n                    <jats:sup>214<\/jats:sup>\n                    . Clustering analysis reveals distinct conformational landscapes, with baicalein favoring a few dominant states, whereas scutellarein adopts a more fragmented ensemble. Overall, HSA effectively accommodates both free and Cu(II)\u2010complexed flavonoids, with metal coordination subtly modulating binding preferences and conformational dynamics.\n                  <\/jats:p>","DOI":"10.1002\/cplu.70234","type":"journal-article","created":{"date-parts":[[2026,9,3]],"date-time":"2026-09-03T06:45:31Z","timestamp":1788417931000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Exploring the Interaction of Flavonoids Baicalein and Scutellarein With Human Serum Albumin: Spectroscopic and Computational Study"],"prefix":"10.1002","volume":"91","author":[{"ORCID":"https:\/\/orcid.org\/0009-0005-4727-9867","authenticated-orcid":false,"given":"Vanda","family":"Bor\u0161ov\u00e1","sequence":"first","affiliation":[{"name":"Institute of Physical Chemistry and Chemical Physics Faculty of Chemical and Food Technology Slovak University of Technology  Bratislava Slovakia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4035-4140","authenticated-orcid":false,"given":"Miriama Mal\u010dek","family":"\u0160imunkov\u00e1","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry and Chemical Physics Faculty of Chemical and Food Technology Slovak University of Technology  Bratislava Slovakia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5696-3023","authenticated-orcid":false,"given":"Marek","family":"\u0160tekl\u00e1\u010d","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry and Chemical Physics Faculty of Chemical and Food Technology Slovak University of Technology  Bratislava Slovakia"},{"name":"Computing Center Centre of Operations of the Slovak Academy of Sciences  Bratislava Slovakia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,9,2]]},"reference":[{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1017\/jns.2016.41"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.1007\/s12263\u2010009\u20100136\u20103"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.fct.2017.10.042"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules26226923"},{"key":"e_1_2_10_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ajcnut.2024.09.022"},{"key":"e_1_2_10_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jnutbio.2025.109862"},{"key":"e_1_2_10_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.heliyon.2024.e27533"},{"issue":"6","key":"e_1_2_10_9_1","first-page":"33","article-title":"Bioavailability and Metabolism of Flavonoids","volume":"74","author":"Makarova M. 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