The Faculty of Pharmacy discussed the MSc thesis entitled “Design, Synthesis, and In-vitro Evaluation of New Naphthalene Imine Derivatives as Possible Sirtuin Enzymes Inhibitors”, by Yahya Mohammed Hasan and his supervisor, Assistant Professor Dr. Ayad Abed Ali Al-Hamashi in the Pharmaceutical Chemistry Department. The study aimed to design new naphthalene imine derivatives as possible Sirtuin enzymes inhibitors using molecular docking software. The first step involved seven naphthalene-containing molecules that were designed, synthesized, and biologically evaluated. 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 seven new naphthalene derivatives were synthesized and characterized via ATR-FTIR and NMR spectroscopy. A preliminary antiproliferative study over aggressive breast cancer cells (AMJ13) was evaluated. The results showed that the ADMET study indicated that compounds have acceptable pharmacokinetic properties and a drug-like profile. Additionally, the results revealed that the compound Y7 has a significant AMJ13 inhibition activity with an IC50 comparable to the inhibition activity of the FDA-approved drug Vorinostat.
