Design, semi-synthesis, anti-cancer assessment, docking, MD simulation, and DFT studies of novel theobromine-based derivatives as VEGFR-2 inhibitors and apoptosis inducers
Ibrahim H. Eissa, Reda G. Yousef, Hazem Elkady, Eslam B. Elkaeed, Aisha A. Alsfouk, Dalal Z. Husein, Ibrahim M. Ibrahim, Mostafa A. Elhendawy, Murrell Godfrey, Ahmed M. Metwaly
Topics & Concepts
ChemistryTheobromineApoptosisStereochemistryIC50Docking (animal)In silicoIn vitroAcetamideQuantitative structure–activity relationshipQuinazolinonePopulationPharmacologyBiochemistryBiologyMedicineOrganic chemistryTheophyllineNursingGeneEnvironmental healthClick Chemistry and ApplicationsBioactive Compounds and Antitumor AgentsSynthesis and biological activity