Design, Synthesis and Molecular Docking Studies of Novel Amino Acids and Peptide Derivatives Based on Phthaloyl Chloride With Expected Anticancer Activity.

Document Type : Original Article

Authors

1 Peptide Chemistry Department, National Research Centre, Dokki 12622, Cairo, Egypt

2 Peptide Chemistry Department, Chemical Industries Research Division, National Research Centre, 12622-Dokki, Cairo, Egypt.

3 Pharmaceutical Chemistry Department, Faculty of Pharmacy, Al-Azhar University (Girls), Cairo 12622, Egypt

4 Pharmaceutical and Drug Industries Research Division, Department of Pharmacognosy, National Research Centre, Giza, Egypt

Abstract

This paper discusses the synthesis and characterization of Nα-phthaloyl)-bis-[amino acid]-X, Nα-phthaloyl)-bis-[dipeptide]-X derivatives were conducted, followed by a cytotoxicity evaluation against human cancer cell lines. Compounds 12 and 16 exhibited notable cytotoxic activity against the human colon (CaCo-2) cancer cell line. Molecular docking of these promising derivatives (12 and 16) revealed favorable binding within the active site of the EGFR enzyme, suggesting potential anticancer activity. These docking results suggest a well-fitted interaction involving diverse hydrogen bond interactions with protein residues, indicating a potential for eliciting anticancer activity through this mechanism. This comprehensive approach integrates synthesis, cytotoxicity evaluation, and molecular docking, providing valuable insights into the anticancer properties of these compounds, especially against colon cancer cells.

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Egyptian Journal of Chemistry
Volume 67, Issue 13 - Serial Number 13
In Loving Memory of Late Professor Doctor ””Mohamed Refaat Hussein Mahran””
December 2024
Pages 577-587

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History

  • Receive Date: 27 December 2023
  • Revise Date: 30 January 2024
  • Accept Date: 12 February 2024

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