Computational design and fabrication of a highly selective and sensitive molecularly imprinted electrochemical sensor for the detection of enzalutamide

This study demonstrates the first electrochemical analysis of an anti-androgen drug enzalutamide with a molecularly imprinted polymer (MIP)-based sensor. An electrochemical sensor was developed through computational approaches for screening functional monomers in the rational design of MIPs. Based on the computational approach, ortho-phenylenediamine (o-PD) was selected as a functional monomer based on the comparison of interaction energies (Delta E) between enzalutamide and monomers. The characterization of the MIP-based sensor was investigated by Raman spectroscopy, surface electron microscopy (SEM), contact angle measurements, and electrochemical techniques. Different electrochemical techniques such as differential pulse voltammetry (DPV) and electrochemical impedance spectroscopy (EIS) were utilized for the evaluation of MIP parameters (removal process, incubation time, monomer ratio etc.). MIP@ANI-co-o-PD/GCE showed a linear response in the concentration range between 1 x 10(-16) M and 1 x 10(-15) M with the limit of detection (LOD) and limit of quantification (LOQ) values of 0.019 fM and 0.065 fM, respectively. The application studies from human serum and pharmaceutical dosage form samples were concluded with good recovery results demonstrating the sensor's applicability, selectivity, precision, and accuracy. Furthermore, selectivity studies were carried out with similarly structured compounds teriflunomide and leflunomide. Lastly, the non-imprinted polymer (NIP) based electrochemical sensor was prepared and used for the performance evaluation of the MIP@ANI-co-o-PD/GCE sensor.