ArticleInternational journal of molecular sciences2025
Design and Synthesis of New 5-Methylisatin Derivatives as Potential CDK2 Inhibitors.
Article in International journal of molecular sciences, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
2 citing papers in PubMed.
- A novel approach for enhancing the potency of kinase inhibitors using topological water networks.Journal of cheminformatics · 2026Article
- Design and Evaluation of New 6-Trifluoromethoxy-Isatin Derivatives as Potential CDK2 Inhibitors.International journal of molecular sciences · 2026Article
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Cancer remains one of the leading causes of death globally, driving the need for effective therapies. Targeting cyclin-dependent kinase 2 (CDK2), a critical cell cycle regulator, is a promising approach for cancer treatment. This study developed a new group of 5-methylisatin derivatives with strong binding potential to CDK2. By combining the isatin core with various benzoylhydrazide substituents, the design process was guided by molecular docking, dynamic simulations, and ADMET analysis. Thirty-one derivatives were modelled, and a subset was synthesised and characterised for their physicochemical and spectroscopic properties. The analysis suggested that substitutions at R2 and R3 positions improved binding affinity, while modifications at R4 were less favourable. Hydrogen bonds with GLU81 and LEU83, along with hydrophobic interactions, were key to stabilising the complexes. A comparison with a reference molecule (
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Registered trials
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