Insights from a combination of theoretical and experimental methods for probing the biomolecular interactions between human serum albumin and clomiphene

Abstract

In this study, the interaction of clomiphene with human serum albumin (HSA), the most abundant plasma transport protein, was investigated using spectrofluorometric, FT-IR, UV-Vis, and molecular modeling methods.

Insights into the interaction of potent antimicrobial chalcone triazole analogs with human serum albumin: spectroscopy and molecular docking approaches

“…The calculated values of K b were of the order of 10 9 , indicating a strong interaction between HSA and CTs. 3 As the temperature was increased, a noticeable decrease in the binding constant was observed owing to the lower stability of the HSA-CT complex at higher temperatures. The value of n was nearly equal to 1 for all the CTs at all three temperatures.…”

“…These forces can be differentiated by the signs and magnitudes of enthalpy and entropy. 3 The uctuations in entropy and enthalpy during the binding phenomena were identied by the van't Hoff's plot using the given equation:…”

“…Also, the negative DH value showed that the binding process of CTs to HSA was an exothermic process, which was in line with the decrease in the binding constant with the rise in the temperature. 3…”

“…This drug-HSA complex formed provides the supply of free drug and extends the duration of the drug's action. 3 This binding of the drug to HSA inuences the pharmacokinetic properties of the drug such as half-life, solubility, metabolism and distribution. This binding also affects its efficacy, stability, toxicity and delivery.…”

“…4 Thus, the study of the mechanism of the interaction between a drug and serum albumin is crucial to evaluate the transportation and distribution of the drug in the body. 3 Organic compounds containing chalcone and avone scaffolds are of interest to both synthetic and medicinal chemists. These compounds are the precursors for numerous synthetic and naturally available heterocycles such as isoxazolines, pyrazolines, pyrimidines, quinoxalines, aurones, benzalcoumaranones and anthocyanins.…”