In Silico Approach for Designing Potent Inhibitors Against Polymerase PB2 (Influenza A Virus: H1N1)

Abstract

A 759 amino acid long sequence of polymerase PB2 [Influenza A virus {A/Mexico/47N/2009(H1N1)}] was taken to build the model of the protein which was validated by different tools of SAVS (structural analysis and verification server). The modeled protein was interacted with four different drugs available in the market viz. oseltaminivir, amantadine, zanasmivir, rimantadine (RS) and some naturally occurring compounds i.e. curcuminoids (curcumin, demethoxy curcumin, bis-demethoxy curcumin and cyclocurcumin) along with two synthetic bioconjugates of curcumin viz. dipiperoyl and disalicyloyl esters. The analysis parameters including docking score, reranking score and number of H-bonds indicate cyclocurcumin as the most favoured.