Synergistic Approaches in Moxifloxacin Detection: Modified Electrodes and Molecular Modeling Perspectives. A Review

Abstract

Moxifloxacin (MOX), an antibiotic used in the treatment of bacterial infections, is generating growing interest in health and environmental monitoring. Electroanalytical techniques like Electrochemical Impedance Spectroscopy (EIS), Cyclic Voltammetry (CV), Square Wave Voltammetry (SWV), and Differential Pulse Voltammetry (DPV) offer very high analytical selectivity and sensitivity, particularly when applied to nanostructured surfaces, enabling the real-time quantification of MOX. Chemically modified, functionalized electrodes enable the selective determination of MOX even in the presence of interfering species, owing to their reduced physicochemical properties and greater stability. Molecular modeling, including Density Functional Theory (DFT), Molecular Dynamics (MD), and molecular docking, assists in the development of electrochemical sensors. While DFT was used to study electronic properties and charge-transfer phenomena, MD simulations were used to model the adsorption and diffusion of MOX onto electrodes. Molecular docking, however, aids in the creation of Molecularly Imprinted Polymers (MIPs) and nanostructured materials with greater selective recognition. The combination of electrochemical and computer- aided techniques offers new opportunities to develop advanced sensors for clinical monitoring, pharmaceutical quality control, and environmental sensing. The review further outlines the sampling techniques and various strategies used to enhance the detection of MOX.