Simultaneous Binding of Folic Acid and Methotrexate to Human Serum Albumin: Insights into the Structural Changes of Protein and the Location and Competitive Displacement of Drugs

ACS Omega
Sudipta PanjaMintu Halder

Abstract

Protein structure can be flexible to adopt multiple conformations to house small molecules. In this paper, we have attempted to experimentally figure out how the structure of a transport protein steer the drug-drug competition (DDC) by maintaining the equilibrium distribution of the bound and unbound fractions of drugs. This understanding is an important facet in biophysical and medicinal chemistry to ascertain the effectiveness of drugs. It is important to note that majority of studies involving small-molecule-transport protein interaction aimed at characterizing the binding process, and because these proteins can interact with thousands of molecules, there are hundreds of reports on such interactions. This ultimately led to an impression among the readers that any studies involving serum albumin may not lead to any new findings except for traditional binding explorations. However, in the present paper, we would like to draw the attention of the readers that our findings are very surprising, new, and important, involving the phenomenon of ligand-protein interaction. Here, we have studied two structurally similar drugs methotrexate (MTX) and folic acid (FA), which attempt to bind the primary binding site (subdomain IIA), one at...Continue Reading

References

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Mar 9, 2012·Journal of Agricultural and Food Chemistry·Priyanka BolelMintu Halder
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Dec 15, 2015·Journal of Medicinal Chemistry·Bartosz Sekula, Anna Danuta Bujacz

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Citations

Jan 23, 2021·European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences·Yuanhao LiangYufeng Liu
Jul 3, 2021·Pharmaceuticals·Maranda S CantrellOwen M McDougal
Feb 5, 2022·Biomacromolecules·Yingshan MaEugenia Kumacheva

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Methods Mentioned

BETA
circular dichroism

Software Mentioned

Accelrys
Discovery Studio Visualizer
F900

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