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 (Comput. Biol. Chem., 2023)