Design, Synthesis, In Silico Profiling, and In Vitro Anticancer Assessment of Azine‐Linked Thiazolo[3,2‐a]benzimidazoles as CDK2‐Directed Therapeutic Candidates
= 7.05 ± 0.49 and 6.42 ± 0.31 µM). Absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction indicated high gastrointestinal (GI) absorption, no blood-brain barrier (BBB) permeation, no P-glycoprotein (P-gp) substrate liability, a bioavailability score of 0.55, and zero pan-assay interference compounds (PAINS) alerts. Overall, the integrated synthetic, computational, and biological results highlight azine-linked thiazolo[3,2-a]benzimidazoles, particularly 4r, as promising CDK2-directed anticancer leads.
Authors
- Mohammad Alhilal (ORCID: https://orcid.org/0000-0002-2832-8409)
- Suzan Alhilal (ORCID: https://orcid.org/0000-0002-9372-9364)
- Sayed M. Riyadh (ORCID: https://orcid.org/0000-0002-0329-6674)
- Ahmed A. Elhenawy (ORCID: https://orcid.org/0000-0003-2893-0376)
- M. Ahmed
- Wesam Hussein
- Mohamed El‐Naggar (ORCID: https://orcid.org/0000-0001-8799-0235)
- Magdi E. A. Zaki
- Sobhi M. Gomha
Institutions
- Cairo University (EG)
- Al-Azhar University (EG)
- Mardin Artuklu University (TR)
- Imam Mohammad ibn Saud Islamic University (SA)
- University of Sharjah (AE)
- Islamic University of Madinah (SA)
- Al Baha University (SA)
Publication Details
- Journal
- Drug Development Research
- Published
- 2026-04-01
- DOI
- https://doi.org/10.1002/ddr.70272
- Primary Topic
- Click Chemistry and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00