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

Discovery of New Coumarin-Based Lead with Potential Anticancer, CDK4 Inhibition and Selective Radiotheranostic Effect: Synthesis, 2D & 3D <i>QSAR</i>, 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 (<i>QSAR)</i> model with high predictive power r<sup>2</sup> = 0.92, and RMSE = 0.44 predicted five compoun...

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Bibliographic Details
Main Authors: Mona O. Sarhan, Somaia S. Abd El-Karim, Manal M. Anwar, Raghda H. Gouda, Wafaa A. Zaghary, Mohammed A. Khedr
Format: Article
Language:English
Published: MDPI AG 2021-04-01
Series:Molecules
Subjects:
coumarin
synthesis
molecular dynamics
radioiodination
CDK4
Online Access:https://www.mdpi.com/1420-3049/26/8/2273

Internet

https://www.mdpi.com/1420-3049/26/8/2273

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