A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase
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- 作者：Xiao Xua ; b ; 1 ; Nada Bo&scaron ; njaković-Pavlovićc ; 1 ; Mirjana B. Čolovićd ; Danijela Z. Krstiće ; ; Vesna M. Vasićd ; Jean-Michel Gilleta ; b ; Pingfan Wuf ; Yongge Weig ; Anne Spasojević-de Biré ; a ; b ;
- 关键词：Functionalized hexavanadate ; Na+/K+-ATPase ; Inhibition ; Cambridge structural database ; Non-covalent interactions
- 刊名：Journal of Inorganic Biochemistry
- 出版年：2016
- 出版时间：August 2016
- 年：2016
- 卷：161
- 期：Complete
- 页码：27-36
- 全文大小：1793 K
文摘
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Functionalized hexavanadates (V6) inhibit Na+/K+-ATPase.
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[V6–OH][Na]2 inhibited Na+/K+-ATPase activity up to 30% at max. investigated concentration.
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The O2x bridged oxygen atoms are more reactive than O1x terminal oxygen.
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The protonation sites in the cage are oxygen atoms of type O2x.
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The most charged V–O1x bond belongs to [V6–NO2][TBA]2 TBA, tetrabutylammonium