Abstract

ANTICANCER ACTIVITY AND MOLECULAR DOCKING OF SOME SYNTHESIZED 2-THIOHYDANTOIN DERIVATIVES

Mohamed Abd El-Moneim, Elsherbiny H. Elsayed and Maha El-Ashry*

ABSTRACT

Objective: the present work is designed for synthesis of a series of novel 2- thiohydantoin derivatives, description of the electron impact (EI) ionization mass spectral fragmentation patterns and evaluation of them against human breast cancer cells (MCF-7) and human prostate cancer cells (PC-3). Methods: A series of novel 3-[(2,5-dihydroxybenzylidene)amino]-2-thiohydantoin derivatives have been synthesized. The structures of the synthesized compounds were characterized by spectroscopic methods such as IR, HNMR, 13CNMR, mass spectroscopy and elemental analysis. The anti-tumor activity of the new compounds were evaluated against human breast cancer cells (MCF-7) and human prostate cancer cells (PC-3). Molecular docking also evaluated. Results: The spectroscopic data clearly confirmed the structure of the newly synthesized compounds. The anticancer activity and molecular docking for the compounds were evaluated. Among the tested compounds 3 and 7 exhibited the highest activity. Conclusion: 2-thiohydantoin derivatives containing (2,3-dihydroxybenzylidene)amino substituent were synthesized. The synthesized compounds exhibited moderate anticancer activities. On docking study, the most favorable interaction between the synthesized compounds and the protein receptor (3hb5) were with compounds 6 and 2.

Keywords: 2-Thiohydantoin, Synthesis, Antitumor, Molecular Docking.