Lluis Campos and F. Javier Luque article "Evaluation of the Interactions between Human Serum Albumin (HSA) and Non-Steroidal Anti-Inflammatory (NSAIDs) Drugs by Multiwavelength Molecular Fluorescence, Structural and Computational Analysis" has been recently accepted for publication in Pharmaceuticals journal.
In this work, fluorescence spectroscopy (FS) was used to determine the properties of the binding of HSA to four non-steroidal anti-inflammatory drugs (NSAIDs) –ibuprofen, naproxen, diflunisal and flurbiprofen–. To interpret the fluorescence quenching upon complex formation, two methods were used; the double logarithm Stern-Volmer (DLSV) and the STAR program. Both approaches shed similar results, although STAR was able to overcome some restrictions that are inherent to the DLSV equation.
Binding properties previously assessed by complementary techniques such as isothermal titration calorimetry (ITC) complemented the analysis of the results. With the same purpose, available structural information of albumin complexes with NSAID‐related compounds was retrieved from the protein data bank (PDB), and used to perform molecular docking simulations by means of Shrödinger’s drug discovery suite.
The synergistic integration of these techniques was used in a latter stage to assess the binding mode and properties of flurbiprofen to HSA, a complex that has yet to be experimentally elucidated. The complexity of the task relied on the great number and variety of pockets present in this protein, as well as its conformational flexibility.
In brief, this work provides some insight into the functional role played by HSA in the transport of bioactive compounds and drugs, and reinforces the importance of evaluating ligand-protein interactions using different and complementary techniques.
If you want more details about the article, check the link: https://www.mdpi.com/1424-8247/14/3/214
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