Design, synthesis, and evaluation of activity against breast cancer cells of new naphthalene derivatives as potential sirtuin enzymes inhibitors


Author(s): Hayjaa Mohessen Mosa, Ayad Abed Ali Al-Hamashi

Epigenetic modifications are potentially therapeutic targets because of their reversibility in somatic inheritability patterns. The sirtuin enzyme family is a Nicotinamide Adenine Dinucleotide (NAD+)-dependent histone deacetylase. Sirtuins have been associated with the pathogenesis of cancer due to their function in gene expression, making them an interesting therapeutic target. In the current study, several naphthalene-containing molecules were designed. The molecular docking Glide software from Schrodinger Inc. was used to evaluate the virtual interactions of the designed compounds with sirtuin enzymes. Compounds with acceptable docking scores were nominated for organic synthesis. The new naphthalene derivatives were synthesized and characterized via FTIR and NMR spectroscopy. A preliminary antiproliferative study over aggressive, poorly differentiated, and multi-treatment resistant triple negative receptor breast cancer cells (AMJ13) showed that compound Y4 has a significant cytotoxicity with an IC50 of 82.8 M, which was comparable to the vorinostat with an IC50 of 85.9 M. The ADMET study indicated that compound Y4 has acceptable pharmacokinetic properties and a drug-like profile.

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Awards Nomination

Editors List

  • Prof. Elhadi Miskeen

    Obstetrics and Gynaecology Faculty of Medicine, University of Bisha, Saudi Arabia

  • Ahmed Hussien Alshewered

    University of Basrah College of Medicine, Iraq

  • Sudhakar Tummala

    Department of Electronics and Communication Engineering SRM University – AP, Andhra Pradesh




  • Alphonse Laya

    Supervisor of Biochemistry Lab and PhD. students of Faculty of Science, Department of Chemistry and Department of Chemis


  • Fava Maria Giovanna


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