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Volume 31, Issue 12
  • ISSN: 1381-6128
  • E-ISSN: 1873-4286

Abstract

Background

PGK1 and PKM2 are glycolytic enzymes, and their expression is upregulated in cancer cells. STAT3 is a transcription factor implicated in breast cancer progression and chemoresistance. Researchers worldwide continue to explore how targeting genes might lead to more effective anti-breast cancer therapies. The present study aims to synthesize quinazolines containing caffeoyl moiety for developing innovative anticancer agents against the human breast cancer cell line (MCF-7).

Methods

A new quinazoline was synthesized by reacting caffeic acid with 5-amino-phenylpyrazole carboxylate in the presence of PCl. Compound reacted with NHNH.HO to produce compound through cyclo-condensation. Apoptosis and necrosis as well as inhibition activity compounds and against PGK1, and PKM2 were evaluated. The effect of compounds and on the levels of GSH, GR, SOD, GPx, CAT, MDA, Bax, Bcl-2, caspase-3, P53 and VEGF levels as well as PGK1, PKM2 and STAT3 gene expression were estimated in MCF-7 tumor cells.

Results

The viability of MCF-7 cells was reduced to 22.42% and 45.86% after incubation with compounds and for 48 hours, respectively. The IC values for compounds and are 62.05 µg/mL and 16.73 µg/mL. Furthermore, compound exhibited more significant apoptosis and necrosis than compound . IC values of compound against PGK1, and PKM2 at interval concentration equals 1.04, and 0.32 µM/mL, respectively, after 210 minutes of incubation. Moreover, compound were revealed strong inhibition of PGK1, and PKM2 with IC values equals 0.55 and 0.21 µg/mL, respectively after 210 minutes of incubation. Our results proved that the incubation of compounds and with MCF-7 cells increased the levels of apoptotic proteins, elevated MDA, Bax, caspase-3 and P53 levels, depleted GSH, GR, SOD, GPx, CAT, Bcl-2 levels and down-regulated the levels of STAT3, PGK1, and PKM2 gene expression significantly. Our results proved that compound showed a stronger estimated binding affinity with a ∆G of -7.2, -7.5, and -7.9 kcal/mol., respectively towards PGK1, PKM2 and STAT3 proteins. Also, compound exhibits a strong binding affinity with ∆G of -7.9, -8.5, and - 8.7 kcal/mol., towards PGK1, PKM2 and STAT3 proteins.

Conclusion

The results show that compounds and induce apoptotic activity by blocking the PGK1-PKM2-STAT3 signaling pathway. The present investigation opens exciting possibilities for developing innovative new anticancer quinazolines bearing caffeoyl moiety.

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Design, Synthesis, and Molecular Docking of Quinazolines Bearing Caffeoyl Moiety for Targeting of PGK1/PKM2/STAT3 Signaling Pathway in the Human Breast Cancer
Curr. Pharm. Des. 31, 957 (2025); https://doi.org/10.2174/0113816128337881241016064641
/content/journals/cpd/10.2174/0113816128337881241016064641
/content/journals/cpd/10.2174/0113816128337881241016064641
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  • Article Type:     Research Article
Keyword(s): breast cancer; caffeic acid; molecular docking; PGK1 and PKM2 enzymes; Quinazolines; signaling pathway

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