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

Author:

Binjawhar Dalal Nasser1,Alqahtani Arwa Sultan2,Abu Ali Ola A.3,Fayad Eman4,Al-Salmi Fawziah A.5,El-Deen Ibrahim Mohey6,Sophy Mohamed Ahmed Elian7ORCID

Affiliation:

1. Department of Chemistry, College of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia

2. Department of Chemistry, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), P.O. Box 90950, Riyadh, 11623, Saudi Arabia

3. Department of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia

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

5. Department of Biology, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia

6. Department of Chemistry, Faculty of Science, Port Said University, Port Said, 42526, Egypt

7. 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.

Publisher

Bentham Science Publishers Ltd.

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