Synthesis, DNA binding, photocleavage, molecular docking studies of 2-oxo-3-quinoline-3-oximes

Abstract

A series of 2-oxo-quinoline-3-carbaldoxime esters (OQCE) were designed and synthesized based on the 2-oxo-quinoline structure core as novel anticancer agents. The primary results shows that most of the compounds had moderate cytotoxicities against both tested human cancer cells. The oxygen analogue with alkoxy substituent significantly affected the cancer cells compare to other derivatives. Further, DNA binding, molecular docking and photonuclease studies activities of 2-oxo-quinoline-3-carbaldoxime esters (OQCE) were investigated. The experiment results showed that the prepared compounds have a good DNA binding and photocleavage activity. The molecular simulation results indicate that the presence of oxygen at second position of quinoline core structure improve the binding of designed molecules to DNA protein.

URN:NBN:sciencein.jmc.2022.444