Design, synthesis, anticancer activity, and mechanistic investigation of 4,5,6,7-tetrahydrobenzo[ <i>b</i> ]thiophene carboxamides as CDK-2 inhibitors: <i>in vitro</i> and <i>in silico</i> DFT and molecular docking study
displayed the highest CDK-2 inhibition, exceeding roscovitine by nearly threefold. Besides, it arrested the MDA-MB-231 cell cycle at the G0/G1 phase by apoptotic stimulation. Molecular modelling showed strong binding of the bioactive analogues to the active pocket of CDK-2 receptor, suggesting their potential as lead inhibitors.
Authors
- Ramadan M. Ramadan (ORCID: https://orcid.org/0000-0002-9755-5410)
- Kurls E. Anwer (ORCID: https://orcid.org/0000-0002-3886-6761)
- Ebtehal M. Husseiny (ORCID: https://orcid.org/0000-0001-6594-1766)
- Najla Altwaijry (ORCID: https://orcid.org/0000-0001-6372-7141)
- Eman S. Nossier
- Stefan Bräse
- Asmaa Saleh
Institutions
- Karlsruhe Institute of Technology (DE)
- Princess Nourah bint Abdulrahman University (SA)
- Ain Shams University (EG)
- Al-Azhar University (ID)
- Al Azhar University (QA)
Publication Details
- Journal
- Journal of Enzyme Inhibition and Medicinal Chemistry
- Published
- 2026-05-29
- DOI
- https://doi.org/10.1080/14756366.2026.2656826
- Primary Topic
- Synthesis and biological activity
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Princess Nourah Bint Abdulrahman University