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Biological Evaluation and Molecular Docking Studies of Dimethylpyridine Derivatives

Piotr Świątek1, Katarzyna Gębczak2, Tomasz Gębarowski3

  • 1Department of Chemistry of Drugs, Faculty of Pharmacy, Wroclaw Medical University, Borowska 211, 50-556 Wroclaw, Poland. piotr.swiatek@umed.wroc.pl.

Molecules (Basel, Switzerland)
|March 23, 2019
PubMed

Insights

New Schiff base derivatives show promise as anti-cancer agents by inhibiting cyclooxygenase enzymes (COX-1/COX-2). These compounds exhibit significant anticancer activity with a high therapeutic index, suggesting potential for cancer chemoprevention.

Area of Science:

  • Medicinal Chemistry
  • Pharmacology
  • Cancer Research

Background:

  • Cyclooxygenase (COX) inhibitors are recognized for their anti-inflammatory properties and potential in cancer chemoprevention.
  • Established mechanisms include apoptosis induction, neoplasia inhibition, angiogenesis suppression, cell cycle arrest, and PPAR expression modulation.
  • Schiff base derivatives represent a class of compounds with diverse biological activities.

Purpose of the Study:

  • To synthesize and biologically evaluate novel Schiff base derivatives of N-(2-hydrazine-2-oxoethyl)-4,6-dimethyl-2-sulfanylpyridine-3-carboxamide.
  • To assess the in vitro anti-COX-1/COX-2, antioxidant, and anticancer activities of these derivatives.
  • To investigate the binding interactions within the cyclooxygenase active sites using molecular docking.

Main Methods:

  • Synthesis of twelve novel Schiff base derivatives.
  • In vitro assays for COX-1 and COX-2 inhibition, antioxidant capacity, and anticancer activity against cancer cell lines.
  • Molecular docking studies to elucidate binding modes with cyclooxygenase enzymes.

Main Results:

  • Compounds PS18 and PS33 exhibited significant COX-1 inhibitory activity, surpassing that of meloxicam and piroxicam at lower concentrations (IC50 values of 57.3 µM and 51.8 µM, respectively).
  • Compounds PS18, PS19, PS33, PS40, and PS41 demonstrated the highest therapeutic index, selectively inhibiting cancer cell growth without affecting healthy cells.
  • Compounds PS18, PS19, and PS33 showed statistically significant inhibition of either COX-1 or COX-2.

Conclusions:

  • The novel Schiff base derivatives possess significant potential as anticancer agents due to their COX inhibitory and selective cytotoxic effects.
  • Compounds PS18, PS19, and PS33 are particularly promising candidates for further development in cancer chemoprevention strategies.
  • The findings support the exploration of these derivatives for therapeutic applications targeting inflammatory pathways in cancer.
Keywords:
anti-COXdimethylpyridinemolecular docking

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