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Unraveling the molecular interaction of hydroxytyrosol with human serum albumin via multi-spectroscopy, thermodynamic analysis, molecular docking and molecular dynamics simulation.

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Title: Unraveling the molecular interaction of hydroxytyrosol with human serum albumin via multi-spectroscopy, thermodynamic analysis, molecular docking and molecular dynamics simulation.
Authors: Xiong Y; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China. Electronic address: xiongyan@xtu.edu.cn., Ma J; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China., Zeng X; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China., Peng W; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China., Tan S; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China., Wang K; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China., Wan Y; Hunan Kelun Pharmaceutical Co., Ltd., Yueyang 414199, China., Zhou H; Hunan Kelun Pharmaceutical Co., Ltd., Yueyang 414199, China., Xia J; Hunan Kelun Pharmaceutical Co., Ltd., Yueyang 414199, China., Wu X; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China. Electronic address: wxw@xtu.edu.cn.
Source: Bioorganic chemistry [Bioorg Chem] 2026 Jul 15; Vol. 176, pp. 109870. Date of Electronic Publication: 2026 Apr 12.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Country of Publication: United States NLM ID: 1303703 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1090-2120 (Electronic) Linking ISSN: 00452068 NLM ISO Abbreviation: Bioorg Chem Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Xiong+Y%22">Xiong Y</searchLink>; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China. Electronic address: xiongyan@xtu.edu.cn.<br /><searchLink fieldCode="AU" term="%22Ma+J%22">Ma J</searchLink>; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China.<br /><searchLink fieldCode="AU" term="%22Zeng+X%22">Zeng X</searchLink>; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China.<br /><searchLink fieldCode="AU" term="%22Peng+W%22">Peng W</searchLink>; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China.<br /><searchLink fieldCode="AU" term="%22Tan+S%22">Tan S</searchLink>; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China.<br /><searchLink fieldCode="AU" term="%22Wang+K%22">Wang K</searchLink>; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China.<br /><searchLink fieldCode="AU" term="%22Wan+Y%22">Wan Y</searchLink>; Hunan Kelun Pharmaceutical Co., Ltd., Yueyang 414199, China.<br /><searchLink fieldCode="AU" term="%22Zhou+H%22">Zhou H</searchLink>; Hunan Kelun Pharmaceutical Co., Ltd., Yueyang 414199, China.<br /><searchLink fieldCode="AU" term="%22Xia+J%22">Xia J</searchLink>; Hunan Kelun Pharmaceutical Co., Ltd., Yueyang 414199, China.<br /><searchLink fieldCode="AU" term="%22Wu+X%22">Wu X</searchLink>; Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China. Electronic address: wxw@xtu.edu.cn.
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      – TitleFull: Unraveling the molecular interaction of hydroxytyrosol with human serum albumin via multi-spectroscopy, thermodynamic analysis, molecular docking and molecular dynamics simulation.
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              Text: 2026 Jul 15
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