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(Q)SAR analysis of a selected group of drugs using retention values from HPLC column chromatography with immobilized plasma proteins
* 1 , 1 , 2
1  Medical University of Lodz
2  Medical University of Lodz, Faculty of Pharmacy, Department of Analytical Chemistry
Academic Editor: Alfredo Berzal-Herranz

Published: 01 November 2023 by MDPI in 9th International Electronic Conference on Medicinal Chemistry session General (registering DOI)

Proteins are an important part of blood plasma and perform various functions necessary for the proper functioning of the body. Both alpha-1 acid glycoprotein (AGP) and plasma albumin (HSA) are responsible for drug binding and transport.

Modern technologies combining knowledge from various fields are used in drug design. A popular method is QSAR, i.e. determining the relationship between the structure of a molecule and its activity. It uses statistical methods and extensive databases of chemical compounds.

In the present study, the binding of substances to plasma proteins was examined by HPLC. The results obtained during the study were subjected to statistical analysis. The influence of the nature of the substance on binding to proteins was demonstrated using ANOVA. The examination of the percentage of binding to plasma proteins (PB) for the log k retention value showed the greatest importance of HSA as the protein responsible for this pharmacokinetic phenomenon and the smaller contribution of AGP. However, in multiple regression models, the best results were obtained for basic drugs, indicating their high affinity for AGP.

The results of the conducted study provide a lot of valuable information regarding therapeutic substances. This confirms the theory that the HPLC method in combination with statistical analysis can be an important part of preclinical QSAR studies.

Keywords: plasma proteins; protein binding; QSAR; affinity chromatography; human serum albumin, alpha-1 acid glycoprotein