Statistical Methods in the Study of Protein Binding and Its Relationship to Drug Bioavailability in Breast Milk

Abstract

Protein binding (PB) is indicated as the factor most severely limiting distribution in the organism, reducing the bioavailability of the drug, but also minimizing the penetration of xenobiotics into the fetus or the body of a breastfed child. Therefore, PB is an important aspect to be analyzed and monitored in the design of new drug substances. In this paper, several statistical analyses have been introduced to find the relationship between protein binding and the amount of drug in breast milk and to select molecular descriptors responsible for both pharmacokinetic phenomena. Along with descriptors related to the physicochemical properties of drugs, chromatographic descriptors from TLC and HPLC experiments were also used. Both methods used modification of the stationary phase, using bovine serum albumin (BSA) in TLC and human serum albumin (HSA) in HPLC. The use of the chromatographic data in the protein binding study was found to be positive —the most effective application of normal-phase TLC and HPLCHSA data was found. Statistical analyses also confirmed the prognostic value of affinity chromatography data and protein binding itself as the most important parameters in predicting drug excretion into breast milk.

From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential

“…Giuseppe Zagotto and Marco Bortoli provided a perspective on the evolution of medicinal chemistry, which nowadays faces novel challenges in the context of precision medicine and advanced drug delivery [9]. This aspect was also approached by Karolina Wanat and El żbieta Brzezi ńska, who studied the effects of protein binding on drug bioavailability by means of statistical methods related to molecular and chromatographic descriptors [10], and by Tsun-Thai Chai and colleagues, who predicted pharmacokinetic and pharmacodynamic properties of seafood paramyosins peptides though computational tools [11]. Hoang Thai Ha and colleagues presented a comprehensive study on the extraction, characterization, and evaluation of antioxidant activity of carrageenan from Eucheuma gelatinae [12].…”