Exploring efavirenz-DNA interactions: A multidisciplinary approach through electrochemical, toxicological, and in silico investigations

Abstract

Recently, there has been a growing approach that approved drugs have been tested for additional purposes. Efavirenz is a non-nucleoside reverse transcriptase inhibitor used to treat human immunodeficiency virus infection. In addition, it has selective cytotoxic effects against cancer cells. This study constructed an electrochemical dsDNA nanobiosensor to monitor Efavirenz-dsDNA interaction based on the amine-functionalized multi-walled carbon nanotubes. The experimental conditions of the nanobiosensor, such as dropping the volume of nanomaterial suspension, activation of the nanosensor, and dsDNA concentration, were optimized. The peak currents of dsDNA bases were enhanced, and the peak potentials of Efavirenz have shifted to the less positive potential thanks to the modified sensor with amine-functionalized multi-walled carbon nanotubes. The interaction mechanism was also evaluated in incubated solutions. Docking calculations showed that Efavirenz is active in the large cleft regions of DNA that suggest minor groove binding. The effect of efavirenz on the expression profile of particular stress and possible DNA genotoxicity was studied via examining gene polymorphisms in hepatic cells. These findings align with previously released research that shows Efavirenz-treated hepatic cells to have altered mitochondrial function and elevated ROS levels.