Unveiling interaction mechanisms between myricitrin and human serum albumin: Insights from multi-spectroscopic, molecular docking and molecular dynamic simulation analyses
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy(2023)
摘要
•The interaction between myricitrin and human serum albumin has been firstly investigated.•Quenching mechanism, binding constants, thermodynamic parameters, and binding modes were discussed and mutually confirmed.•Myricitrin spontaneously binds to HSA site I, and the endogenous fluorescence of HSA was static quenching.•Molecular docking and molecular dynamic (MD) simulations verified that myricitrin could be stably combined with HSA.
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关键词
Myricitrin,Human serum albumin,Spectroscopic methods,Molecular modelling,Antioxidation
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