Schistosomiasis: Snail-vector control, molecular modelling and dynamic studies of bioactive N-acetylglycoside saponins from Tetrapleura tetraptera.

Bamigboye J. Taiwo,Olujide O. Olubiyi,Xue Wang,Funmilola A. Fisusi,Ganiyu Akintayo Akinniyi,Fanie R. Van Heerden,Birgit Strodel

Computational Biology and Chemistry（2018）

引用 4|浏览18

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摘要

•NADH-ubiquinone oxidoreductase and RXR are two therapeutic targets in B. glabrata.•Molecular docking predicted binary complexes with T. tetraptera N- acetyl saponins.•Molecular dynamics studies displayed varying saponins strength with binding pocket.•N-acetyl saponin can be lead compound for drug development in snail-vector control.

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关键词

Schistosomiasis,Tetrapleura tetraptera,Snail-vector control,N-Acetyl triterpene glycosides,Docking studies,Molecular dynamics simulations

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