Two substituted-3-phenylthiourea derivatives have been synthesized and characteri- zed by elemental analysis, 1H NMR, MS and single-crystal X-ray diffraction. Structural stabili- zation of them followed by intramolecu...Two substituted-3-phenylthiourea derivatives have been synthesized and characteri- zed by elemental analysis, 1H NMR, MS and single-crystal X-ray diffraction. Structural stabili- zation 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 I 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.展开更多
文摘Two substituted-3-phenylthiourea derivatives have been synthesized and characteri- zed by elemental analysis, 1H NMR, MS and single-crystal X-ray diffraction. Structural stabili- zation 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 I 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.
