Electrochemical Detection of Melphalan in Biological Fluids Using a g-C₃N₄@ND-COOH@MoSe₂ Modified Electrode Complemented by Molecular Docking Studies with Cellular Tumor Antigen P53

Abstract

Melphalan (Mel) is a potent alkylating agent utilized in chemotherapy treatments for a diverse range of malignancies. The need for its accurate and timely detection in pharmaceutical preparations and biological samples is paramount to ensure optimized therapeutic efficacy and to monitor treatment progression. To address this critical need, our study introduced a cutting-edge electrochemical sensor. This device boasts a uniquely modified electrode crafted from graphitic carbon nitride (g-C 3 N 4 ), decorated with activated nanodiamonds (ND-COOH) and molybdenum diselenide (MoSe 2 ), and specifically designed to detect Mel with unparalleled precision. Our rigorous testing employed advanced techniques such as cyclic voltammetry and differential pulse voltammetry. The outcomes were promising; the sensor consistently exhibited a linear response in the range of 0.5 to 12.5 μM. Even more impressively, the detection threshold was as low as 0.03 μM, highlighting its sensitivity. To further enhance our understanding of Mel's biological interactions, we turned to molecular docking studies. These studies primarily focused on Mel's interaction dynamics with the cellular tumor antigen P53, revealing a binding affinity of −5.0 kcal/mol. A fascinating observation was made when Mel was covalently conjugated with nanodiamond-COOH (ND-COOH). This conjugation resulted in a binding affinity that surged to −10.9 kcal/mol, clearly underscoring our sensor's superior detection capabilities. This observation also reinforced the wisdom behind incorporating ND-COOH in our electrode design. In conclusion, our sensor not only stands out in terms of sensitivity but also excels in selectivity and accuracy. By bridging electrochemical sensing with computational insights, our study illuminates Mel's intricate behavior, driving advancements in sensor technology and potentially revolutionizing cancer therapeutic strategies.