Development of New N- and S-substituted-imidazolidin-4-one Analogues with Potent Anti-breast Cancer Activity: In vitro Molecular Docking Assessment

Title:Development of New N- and S-substituted-imidazolidin-4-one Analogues with Potent Anti-breast Cancer Activity: In vitro Molecular Docking Assessment

Volume: 28 Issue: 16

Author(s): Dalal Nasser Binjawhar, Arwa Sultan Alqahtani, Ola A. Abu Ali, Eman Fayad*, Fawziah A. Al-Salmi, Ibrahim Mohey El-Deen and Mohamed Ahmed Elian Sophy*

Affiliation:

• Department of Biotechnology, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia

• Department of Chemistry, Faculty of Science, Arish University, Arish, 45511, Egypt

Abstract: 2-Thioxoimidazolidin-4-one derivatives 3, 4, 7, 8, and 9 have been synthesized from 3- (benzylideneamino)-2-thioxoimidazolidin-4-one (2) as a starting material. Compounds 3, 4, 7, 8, and 9 were obtained via the reaction of compound (2) with ethyl chloroacetate, methyl acrylate, and chlorophenacyl bromide, respectively. Elemental analysis and several spectroscopy techniques were used to confirm the synthesized compounds. The synthesized compounds, particularly compounds 7 and 8, exhibited significant cytotoxic influences on MCF-7 cells, surpassing staurosporine. Compounds 7 and 8 can induce apoptosis in those treated MCF-7 cells. Studying molecular docking approved that compounds 7 and 8 bind in two and three dimensions to the aromatase binding pockets. Molecular modeling indicates compounds 7 and 8 have a strong affinity for human topoisomerase II beta, establishing its promise as a multifaceted antitumor agent for breast cancer.

Cite this article as:

Binjawhar Nasser Dalal, Alqahtani Sultan Arwa, Abu Ali A. Ola, Fayad Eman*, Al-Salmi A. Fawziah, El-Deen Mohey Ibrahim and Sophy Ahmed Elian Mohamed*, Development of New N- and S-substituted-imidazolidin-4-one Analogues with Potent Anti-breast Cancer Activity: In vitro Molecular Docking Assessment, Current Organic Chemistry 2024; 28 (16) . https://dx.doi.org/10.2174/0113852728298899240402083333