In Vitro Anticancer Potentiality and Molecular Modelling Study of Novel Cyclic Pentapeptides based on 1, 2-benzenedicarbonyl chloride

Document Type : Original Article


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


Cancer continues to be a leading cause of significant mortality globally. The conventional treatment methods currently in use are accompanied by notable side effects, and their efficacy falls short of achieving curative outcomes. Moreover, the considerable costs, technical demands, and cytotoxicity contribute to their limitations. Given their comparatively higher priorities, bioactive peptides with anti-cancer properties have emerged as treatment options within the therapeutic repertoire. This paper describes the synthesis and evaluation of a set of of Cyclo-(Nα-phthaloyl)-bis-[dipetide]-L- Lys -X, (X= ester, acid or hydrazide derivatives ) with potential cytotoxic activity against four human cancer cell lines using MTT growth inhibition assay. Compound 8, in particular, demonstrated significant cytotoxicity against the human colon cancer cell line (CaCo-2). Furthermore, an additional exploration encompassed the molecular docking of the promising derivative 20 to examine its binding mode within the active site of the EGFR enzyme. The docking results indicate a favorable fit, attributed to various hydrogen bond interactions with protein residues, hinting at potential anticancer activity.


Main Subjects

Volume 67, Issue 13 - Serial Number 13
In Loving Memory of Late Professor Doctor ””Mohamed Refaat Hussein Mahran””
December 2024
Pages 567-576
  • Receive Date: 26 December 2023
  • Revise Date: 30 January 2024
  • Accept Date: 12 February 2024