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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

2023Computational Biology and Chemistry38 citationsDOI

Topics & Concepts

ChemistryTheobromineApoptosisStereochemistryIC50Docking (animal)In silicoIn vitroAcetamideQuantitative structure–activity relationshipQuinazolinonePopulationPharmacologyBiochemistryBiologyMedicineOrganic chemistryTheophyllineNursingGeneEnvironmental healthClick Chemistry and ApplicationsBioactive Compounds and Antitumor AgentsSynthesis and biological activity
Design, semi-synthesis, anti-cancer assessment, docking, MD simulation, and DFT studies of novel theobromine-based derivatives as VEGFR-2 inhibitors and apoptosis inducers | Litcius