Exploring the interactions between artemisinin with serum paraoxonase -۱ using molecular docking technique

Background & Objective: Artemisia annua is an herb native to Asia that is employed in traditional medicinefor the therapy and prevention of fever and trembling. Artemisinin is one of the most important derivativesof Artemisinin annua with anti-inflammatory, Antimicrobial, and Antioxidant properties.On the other hand, Paraoxonase -۱ is a vital enzyme with Anti-inflammatory and antioxidant properties,produced in the liver and linked to HDL. So, studies about their impact on each other can have a significantposition in pharmacology and drug design.Material & Methods: This is a descriptive-analytical study. In the present study, the structures of the drug(artemisinin) and serum Paraoxonase -۱ enzyme were respectively obtained from the PubChem and ProteinData Bank (PDB) databases. Then to investigate how the compound is attached to the active site of theenzyme, a docking study was performed by AutoDockTools-۱.۵.۶ software.Results: Findings from molecular docking show that ligand artemisinin had the most negative ΔGbind (-۶.۴۵Kcal/mol) than Paraoxonase -۱ (-۲.۵۸ kcal/mol), which indicated favorable interactions with the criticalamino acid residues at the active site of the enzyme.Conclusion: The interaction studies indicated that Artemisinin with the serum Paraoxonase۱ possesses ahigh binding affinity.

Keywords:

Artemisinin , serum Paraoxonase-۱ , Molecular docking , drug design