Journal of
Computational Biology and Bioinformatics Research

  • Abbreviation: J. Comput. Biol. Bioinform. Res
  • Language: English
  • ISSN: 2141-2227
  • DOI: 10.5897/JCBBR
  • Start Year: 2009
  • Published Articles: 39

Full Length Research Paper

In silico study of the binding parameters of various antioxidants with human Paraoxonase 1

K. Shyamala*, Suhasini Cherine A., Nandha Devi E. and Deepa Gaauthem
Department of Bioinformatics, Stella Maris College, 17, Cathedral Road, Chennai – 600 086, India.
Email: [email protected], [email protected]

  •  Accepted: 29 November 2011
  •  Published: 31 January 2012

Abstract

Paraoxonases are a group of enzymes involved in the hydrolysis of organophosphates. Human Paraoxonase 1 is synthesized in liver and secreted into blood, where it is associated exclusively with High Density Lipoproteins and may protect against the development of atherosclerosis. Paraoxonase was identified as a genetic risk factor for cardiovascular disease. An enhancement of Paraoxonase 1 activity by well-known anti oxidant flavonols like Quercetin and its derivatives are therefore of interest. The aim of this study is to investigate the binding parameters of Quercetin and its derivatives such as Quercetin dihydrate, Quercetin pentaacetate and Quercetin -3-methylether with Paraoxonase.  Human Paraoxonase 1 was modeled using Modeller and binding parameters were studied using Arguslab software. The interactions show the differences in their binding and will throw light on new ways of effecting High Density Lipoprotein content and action. The docking studies helped in understanding the binding parameters thereby giving a direction for future anti-atherosclerotic treatment options.

 

Key words: Paraoxonases, quercetin, anti-oxidant, high density lipoproteins (HDL), atherosclerosis.