New quinoxaline-based VEGFR-2 inhibitors: design, synthesis, and antiproliferative evaluation with <i>in silico</i> docking, ADMET, toxicity, and DFT studies

Abstract

ADMET, toxicity, and physico-chemical properties revealed that most of the synthesized members have acceptable values of drug-likeness. Finally, DFT studies were carried out to calculate the thermodynamic, molecular orbital and electrostatic potential properties.