Ola G. Hussein, Mamdouh R. Rezk, Amr M. Mahmoud, Mina Wadie
In pursuit of sustainable and high-precision analytical methodologies, a dual-sensor system were developed for simultaneous determination of alcaftadine (ALF) and ketorolac tromethamine (KTC) based on copper and gallic acid metal organic framework (Cu-gallic MOF). This dual-sensor system integrates computational prediction, advanced nanomaterials, and green chemistry principles to achieve accurate and eco-friendly pharmaceutical quality control. Firstly, to address the critical challenge of selecting an ionophore suitable for two chemically distinct analytes, molecular docking studies were performed to elucidate potential host-guest interactions. The simulations revealed β-cyclodextrin as the most efficient ionophore exhibiting strong binding affinities with both ALF and KTC molecules ensuring selective recognition and stable complex formation. Following the docking-guided ionophore selection, Cu-gallic MOF was laboratory prepared, morphologically characterized with scanning electron microscope and introduced as a novel ion-to-electron transducer in potentiometric electodes, for the first time. Each membrane was fabricated from plasticized polyvinyl chloride incorporating β-cyclodextrin as the ionophore and supported by the Cu-gallic MOF composite. The sensors displayed excellent linearity throughout the concentration interval of 1 × 10 −6 to 1 × 10 −2 M with limits of detection reaching 6.3 × 10 −7 M. Their successful application to spiked aqueous humor samples as well as commercial pharmaceutical formulations confirmed high analytical accuracy with negligible interference from excipients or co-formulated substances. Finally, the environmental evaluation using Green Analytical Procedure Index (GAPI), and Analytical GREEnness (AGREE) tools validated the method's green and sustainable attributes. Altogether, this computationally optimized, MOF-enhanced, and environmentally responsible dual-sensor platform establishes a new paradigm for precise and sustainable simultaneous analysis of ALF and KTC in complex dosage forms. • Dual-sensor system for Alcaftadine and Ketorolac Tromethamine determination. • Novel Cu-gallic MOF introduced as ion-to-electron transducer in sensors. • Docking-guided selection of β-cyclodextrin ionophore for ALF and KTC. • High accuracy achieved in dosage form and spiked aqueous humor samples. • GAPI and AGREE tools confirmed the method's green and sustainable profile.