Interaction model between quercetin (3,5,7,3p,4p-pentahidroxiflavone) and human shock thermic factor (HFS)

Abstract

INTRODUCTION. The expression of the HSP stress inducted are regulated by the Shock Thermic Factor (HSF), that exists in an inactive form as a monomer and when it becomes a trimer can make a bind to DNA activating the HSP transcription. OBJECTIVE. Design a computational model that helps elucidate possible interactions between quercetin fl avonoid and proteins such as HSF-1. METHODOLOGY. To observe how the quercetin possibly affects the timerization of HFS, we make an homology model of the human shock factor (HFS-1), obtaining a high structural homology model with the same protein in Kluyveromyces lactis, this model was used to make docking with the fl avonoid quercetin ( 3,5,7,3p,4p-pentahidroxifl avone). RESULTS AND CONCLUSION. The doking result shows that the quercetin docks to a loop (wing), that is important in the protein-protein interaction, possibly affecting they’re trimerization.

Keywords

• flanoids
• quercetin
• heat-shock proteins
• molecular dynamic simulaton.