Molecular simulation study of the binding mechanism of [α-PTi₂W₁₀O₄₀]^7- for its promising broad-spectrum inhibitory activity to FluV-A neuraminidase.

ABSTRACT: Polyoxometalate (POM) has promising antiviral activities. It shows broad-spectrum inhibiting ability, high efficiency, and low toxicity. Experimental assays show that titanium containing polyoxotungstates have anti-influenza-virus activity. In this paper, the binding mechanisms of five isomers of di-Ti-substituted polyoxotungstate, [α-1,2-PTi₂W₁₀O₄₀]^7- (α-1,2), [α-1,6-PTi₂W₁₀O₄₀]^7- (α-1,6), [α-1,5-PTi₂W₁₀O₄₀]^7- (α-1,5), [α-1,4-PTi₂W₁₀O₄₀]^7- (α-1,4) and [α-1,11-PTi₂W₁₀O₄₀]^7- (α-1,11), to five subtypes of influenza virus A neuraminidase (FluV-A NA) were investigated in the co

SUBMITTER: Wang J 

PROVIDER: S-EPMC7089260 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature