1st International and 10th National Iranian Conference on Bioinformatics
Home Accepted Papers
Exploring the interactions between artemisinin with serum paraoxonase -1 using molecular docking technique
Paper ID : 1261-ICB10
Authors:
Maziayr Veisi *1, Marzie Shadpirouz2, Zahra Hemati3, Behnaz Karimi4, shaahin veisi5
1Student of Veterinary Medicine, Shahrekord University, Shahrekord, Iran.
2Department of Applied Mathematics,Factulty of Mathematical Sciences,Shahrood University of Technology,Semnan
3Department of Pathobiology, School of Veterinary Medicine, ShahreKord University, ShahreKord, Iran.
4assistant professor of basic sciences, faculty of veterinary medicine, shahrekord university, shahrekord, Iran
5Student of medicine,Isfahan University Medical Sciences,Isfahan,Iran
Abstract:
Background & Objective: Artemisia annua is an herb native to Asia that is employed in traditional medicine for the therapy and prevention of fever and trembling. Artemisinin is one of the most important derivatives of Artemisinin annua with anti-inflammatory, Antimicrobial, and Antioxidant properties.
On the other hand, Paraoxonase -1 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 significant position 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 -1 enzyme were respectively obtained from the PubChem and Protein Data Bank (PDB) databases. then to investigate how the compound is attached to the active site of the enzyme, a docking study was performed by AutoDockTools-1.5.6 software.

Results: Findings from molecular docking show that ligand artemisinin had the most negative ΔGbind (-6.45 Kcal/mol) than Paraoxonase -1 (-2.58 kcal/mol), which indicated favorable interactions with the critical amino acid residues at the active site of the enzyme.

Conclusion: The interaction studies indicated that Artemisinin with the serum Paraoxonase1 possesses a high binding affinity.
Keywords:
Artemisinin ; serum Paraoxonase-1; Molecular docking; drug design
Status : Paper Accepted (Poster Presentation)