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Treffer: Novel fluorescent probe for human serum albumin detection and labeling: Biological applications and insights from molecular dynamics simulations.

Title:
Novel fluorescent probe for human serum albumin detection and labeling: Biological applications and insights from molecular dynamics simulations.
Authors:
Li XY; Department of Chemical Biology and Tianjin Key Laboratory of Technologies Enabling Development of Clinical Therapeutics and Diagnostics, School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China; State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources, Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources (Ministry of Education of China), Guangxi Normal University, Guilin, 541004, China., Sang RX; Department of Chemical Biology and Tianjin Key Laboratory of Technologies Enabling Development of Clinical Therapeutics and Diagnostics, School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China., Zhang J; Department of Chemical Biology and Tianjin Key Laboratory of Technologies Enabling Development of Clinical Therapeutics and Diagnostics, School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China; State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources, Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources (Ministry of Education of China), Guangxi Normal University, Guilin, 541004, China., Fan J; Department of Chemical Biology and Tianjin Key Laboratory of Technologies Enabling Development of Clinical Therapeutics and Diagnostics, School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China., Huang FP; State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources, Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources (Ministry of Education of China), Guangxi Normal University, Guilin, 541004, China., Ding BW; Department of Breast Oncoplastic and Reconstructive Surgery, Tianjin Medical University Cancer Institute and Hospital, National Clinical Research Center for Cancer, Key Laboratory of Cancer Prevention and Therapy, Tianjin's Clinical Research Center for Cancer, Key Laboratory of Breast Cancer Prevention and Therapy, Tianjin Medical University, Ministry of Education, Tianjin, 300060, China., Tian Y; Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences, Peking Union Medical College, Beijing, 100193, China., Xie CZ; Department of Chemical Biology and Tianjin Key Laboratory of Technologies Enabling Development of Clinical Therapeutics and Diagnostics, School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China; State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources, Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources (Ministry of Education of China), Guangxi Normal University, Guilin, 541004, China. Electronic address: xiechengzhi@tmu.edu.cn., Ma Y; Department of Chemical Biology and Tianjin Key Laboratory of Technologies Enabling Development of Clinical Therapeutics and Diagnostics, School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China. Electronic address: maying@tmu.edu.cn., Xu JY; Department of Chemical Biology and Tianjin Key Laboratory of Technologies Enabling Development of Clinical Therapeutics and Diagnostics, School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China. Electronic address: xujingyuan@tmu.edu.cn.
Source:
International journal of biological macromolecules [Int J Biol Macromol] 2026 Jan; Vol. 335 (Pt 2), pp. 149294. Date of Electronic Publication: 2025 Nov 29.
Publication Type:
Journal Article
Language:
English
Journal Info:
Publisher: Elsevier Country of Publication: Netherlands NLM ID: 7909578 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0003 (Electronic) Linking ISSN: 01418130 NLM ISO Abbreviation: Int J Biol Macromol Subsets: MEDLINE
Imprint Name(s):
Publication: Amsterdam : Elsevier
Original Publication: Guildford, Eng., IPC Science and Technology Press.
MeSH Terms:
Fluorescent Dyes*/chemistry , Fluorescent Dyes*/chemical synthesis , Serum Albumin, Human*/chemistry , Serum Albumin, Human*/analysis , Molecular Dynamics Simulation*, Cisplatin/chemistry ; Humans ; Molecular Docking Simulation ; Cell Line, Tumor
Contributed Indexing:
Keywords: Fluorescent probe; Human serum albumin; Molecular dynamics simulation
Substance Nomenclature:
0 (Fluorescent Dyes)
ZIF514RVZR (Serum Albumin, Human)
Q20Q21Q62J (Cisplatin)
Entry Date(s):
Date Created: 20251201 Date Completed: 20251211 Latest Revision: 20251211
Update Code:
20260130
DOI:
10.1016/j.ijbiomac.2025.149294
PMID:
41325921
Database:
MEDLINE

Weitere Informationen

As a vital biomacromolecule, human serum albumin (HSA) functions as disease diagnostic marker and a key drug carrier in targeted delivery. Fluorescent probes for HSA labeling enable real-time tracking in biological systems, highlighting their value in biomedical imaging and drug distribution studies. In this study, a novel fluorescent probe DMPC based on chromone was designed and synthesized. In PBS solution and urine, DMPC demonstrated rapid response time, high selectivity, robust anti-interference ability, and excellent sensitivity towards HSA. Molecular docking investigations showed that the probe bound within the hydrophobic cavity of site I of HSA. Furthermore, molecular dynamics simulations systematically validated the binding mechanism between DMPC and HSA. This validation was achieved through the analysis of stability, conformational distribution, and residue-residue interactions. Using HSA as the fundamental carrier and DMPC as the fluorescent marker, the loading of cisplatin in the resulting nanocarrier was investigated. The bioimaging of various cancer cells and 3D pancreatic cancer organoids confirms the successful imaging capability of HSA-DMPC. We expect that DMPC will offer a versatile tool for interdisciplinary research in biomedicine, including tumor diagnosis, visualized drug delivery, and bioimaging.
(Copyright © 2025 Elsevier B.V. All rights reserved.)

Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.