Chemometrics-assisted multi-instrumental techniques for investigation of interactions of dapagliflozin with normal and glycated human serum albumin: application to exploiting second-order advantage for determination of glycated human serum albumin as a biomarker for controlling diabetes

Abstract

In this paper, we have collected useful information about interactions of dapagliflozin (DPA) with normal human serum albumin (HSA) and glycated HSA (GHSA) by using spectroscopic and electrochemical methods. Instrumental data were analyzed by graphical and conventional methods and then, the data were mathematically modeled and simultaneously analyzed by multivariate curve resolution-alternating least squares (MCR-ALS). Hard-modeling algorithm of the data helped us to obtain qualitative and quantitative information to cast a deep look at the interactions of the DPA with HSA and GHSA. The results of MCR-BANDS showed that the MCR-ALS gave us unambiguous and reliable results. Afterwards, molecular docking techniques were used to investigate binding of the DPA with HSA and GHSA to obtain new information and to complete the previous findings. The DPA was bound with HSA and GHSA with different binding strengths. Fortunately, the results were compatible and confirmed each other. Finally, according to the results of interaction and binding of the DPA with HSA and GHSA, a second-order calibration model was developed with aim of exploiting second-order advantage for determination of the GHSA in the presence of HSA as uncalibrated interference. The developed method had a good performance for determination of the GHSA in both of synthetic and real samples.