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August 12, 2019ChemistrySelect

Synthesis and In Vitro Biological Evaluation of New Pyrido2,3‐bpyrazinone‐Based Cytotoxic Agents and Molecular Docking as BRAF Inhibitors

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Authors

KAKamelia AminOEOssama M. El-BadryDRDoaa Abdel Rahman

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Overview

In vitro study demonstrates cytotoxicity and BRAF inhibition by novel pyrido[2,3-b]pyrazinone derivatives in colon cancer cells, suggesting their potential for targeted cancer therapy.

Key Points

  • To synthesize novel pyrido[2,3-b]pyrazinone derivatives and evaluate their cytotoxic action against colon cancer cells alongside their inhibitory potential against mutated V600E BRAF kinase.
  • Synthesized a series of novel pyrido[2,3-b]pyrazinone derivatives bearing substituted benzylidene acid hydrazide groups.
  • Tested cytotoxic activity in vitro against the human colon cancer cell line HCT 116 and measured enzymatic inhibition in a V600E BRAF kinase assay.
  • Simulated binding interactions between the active derivatives and the mutated BRAF kinase domain using molecular docking.
  • Compounds 4b and 4c demonstrated the strongest cytotoxicity against HCT 116 cells, with IC50 values of 12.120 µM and 13.103 µM, respectively.
  • Compounds 4b and 4c inhibited V600E BRAF kinase activity by 79.23% and 81.33%, respectively.
  • Molecular docking showed compound 4c achieved a binding score of -21.85171 kcal/mol within the mutated BRAF kinase domain, exceeding that of the native ligand.

Cite This Study

Amin et al. (2019) studied this question.

synapsesocial.com/papers/6a72858fb27f158178280ffdhttps://doi.org/10.1002/slct.201901487
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