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Discovery of New Coumarin-Based Lead with Potential Anticancer, CDK4 Inhibition and Selective Radiotheranostic Effect: Synthesis, 2D & 3D QSAR, Molecular Dynamics, In Vitro Cytotoxicity, Radioiodination, and Biodistribution Studies

Novel 6-bromo-coumarin-ethylidene-hydrazonyl-thiazolyl and 6-bromo-coumarin-thiazolyl-based derivatives were synthesized. A quantitative structure activity relationship (QSAR) model with high predictive power r(2) = 0.92, and RMSE = 0.44 predicted five compounds; 2b, 3b, 5a, 9a and 9i to have potent...

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Detalles Bibliográficos
Autores principales: Sarhan, Mona O., Abd El-Karim, Somaia S., Anwar, Manal M., Gouda, Raghda H., Zaghary, Wafaa A., Khedr, Mohammed A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8070829/
https://www.ncbi.nlm.nih.gov/pubmed/33919867
http://dx.doi.org/10.3390/molecules26082273