University Publications

CEP-37440 is an orally administered dual kinase inhibitor of Anaplastic lymphoma kinase (ALK) and focal adhesion kinase (FAK) with potential anticancer action. Human serum albumin, often known as HSA, is a vital transport protein that delivers hormones and a number of other compounds to the location in the body where they are supposed to have their effect. Fluorescence spectra were used to explore the interaction between CEP and Human Serum Albumin (HSA), a putative carrier of this medication in vivo. A shift in the intrinsic fluorescence was observable as a direct consequence of the association process. According to two models provided by Stern-Volmer and Scatchard equations, the emission spectra were studied to determine the association constant (Kb) values in the following different temperature 298, 303, and 310 K. and (pH 7.4). The results indicate that the association constants were sensitive to temperature changes. At 25°C, the value of Kb was 4.2169 104 M–1. In addition, the thermodynamic parameters for the interaction between HSA and CEP, namely the enthalpy change (∆H) and the entropy change (∆S), were calculated using Van't Hoff plots to be -47,307 kJ/mol and 247,266 J/mol•K, respectively. According to the results of the thermodynamic study of the process by which the HSA-CEP complex was formed, the process of binding was enthalpically and entropically driven, as well as spontaneous, and electrostatic interaction is the primary intermolecular force responsible for maintaining the stability of the complex, that results agree with molecular docking studies. The results of the molecular docking and competitive displacement studies showed that CEP binds to HSA subdomain IIA preferentially.