189
Views
17
CrossRef citations to date
0
Altmetric
Research Articles

Spectroscopic methodologies and computational simulation studies on the characterization of the interaction between human serum albumin and astragalin

&
Pages 2959-2970 | Received 23 Mar 2020, Accepted 16 Apr 2020, Published online: 29 Apr 2020
 

Abstract

In the present work, the interactions of astragalin (AST) with human serum albumin (HSA) were studied systematically thought fluorescence spectra, ultraviolet-visible (UV-vis) absorption spectra, circular dichroism (CD), molecular docking and molecular dynamics (MD) simulations. Fluorescence spectra elaborated that AST reduced the intrinsic fluorescence of HSA through static quenching and non-radiative energy transfer with moderate binding constants in the order of 104 mol/L. Thermodynamic parameters and computational simulations elaborated that hydrogen bond, van der Walls force and hydrophobic interaction played a major role in the binding process of AST to HSA. UV-vis absorption, synchronous fluorescence, three-dimensional (3D) fluorescence and CD spectra illustrated that AST disturbed slightly the microenvironment of tryptophan (Trp) and tyrosine (Tyr) residues and decreased α-helical structure content. The effect of some biologically significant metal ions, such as Mg2+, Cu2+ and Fe3+, on the binding of AST to HSA was also investigated in detail. Binding displacement and docking studies revealed that AST was located in the binding site I of subdomain IIA in HSA. Finally, MD simulations evaluated the binding stability of the HSA-AST system in a simulated environment.

Communicated by Ramaswamy H. Sarma

Disclosure statement

The authors declare no competing interests.

Additional information

Funding

This work was financially supported by the natural science research project of Hetao college (HYZQ201946).

Log in via your institution

Log in to Taylor & Francis Online

PDF download + Online access

  • 48 hours access to article PDF & online version
  • Article PDF can be downloaded
  • Article PDF can be printed
USD 61.00 Add to cart

Issue Purchase

  • 30 days online access to complete issue
  • Article PDFs can be downloaded
  • Article PDFs can be printed
USD 1,074.00 Add to cart

* Local tax will be added as applicable

Related Research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.