Synthesis,Structure and Biological Evaluation of Thiourea Derivatives as Antitumor Agents

Two substituted-3-phenylthiourea derivatives have been synthesized and characterized by elemental analysis,1H NMR,MS and single-crystal X-ray diffraction.Structural stabilization of them followed by intramolecular as well as intermolecular H-bonds makes these molecules as perfect examples in molecular recognition with self-complementary donor and acceptor units within a single molecule.The antitumor activities of compounds 1 and 2 against breast adeno carcinoma cell line MCF-7 have been evaluated by MTT method.Docking simulations have also been performed to position compounds into the telomerase active sites so as to determine their probable binding models.