New quinoxaline-based VEGFR-2 inhibitors: design, synthesis, and antiproliferative evaluation with <i>in silico</i> docking, ADMET, toxicity, and DFT studies
Mohammed M. Alanazi, Hazem Elkady, Nawaf A. Alsaif, Ahmad J. Obaidullah, Hamad M. Alkahtani, Manal M. Alanazi, Madhawi A. Alharbi, Ibrahim H. Eissa, Mohammed A. Dahab
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.
Topics & Concepts
In silicoDocking (animal)ChemistryVEGF receptorsQuinoxalineCombinatorial chemistryToxicityPharmacologyComputational biologyStereochemistryBiochemistryOrganic chemistryBiologyCancer researchMedicineNursingGeneSynthesis and Biological EvaluationSynthesis and Reactions of Organic CompoundsChemotherapy-induced cardiotoxicity and mitigation