Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer

Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetate

“…Nitrogen-based structures have attracted more attention in recent years because of their interesting properties in structural and inorganic chemistry (Faraj et al, 2022;Chkirate et al, 2022aChkirate et al, ,b, 2023Al Ati et al, 2024). The family of quinoxalines, particularly those containing the 2-oxoquinoxaline moiety, is important in medicinal chemistry because of their wide range of pharmacological applications such as antibacterial activity (Chkirate et al, 2022c) and as potential anticancer agents (Abad et al, 2023). In particular, 3-methyl-2-oxoquinoxaline is a cytotoxic (Missioui et al, 2022a) and anticonvulsant agent (Ibrahim et al, 2013) and has anti-COVID-19 and anti-Alzheimer's disease (Missioui et al, 2022b) activities.…”