Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays

Nada B Bošnjaković-Pavlović (1, 2) , Xiao Xu (3, 2) , Danijela Krstić (4) , Jean-Michel Gillet (2) , Yongge B Wei (5) , Pingfan M Wu (6) , Mirjana M Čolović (7) , Anne M Spasojević-de Biré (2)

1 Faculty of Physical Chemistry
2 SPMS - Laboratoire Structures, Propriétés et Modélisation des solides
3 CUMT - China University of Mining and Technology
4 institute of medical chemistry, faculty of medicine, university of belgrade
5 Department of Chemistry, Tsinghua
6 Institute of POM-based Materials, Hubei Provincial Key Laboratory of Green Materials for Light Industry
7 Department of Physical Chemistry [Vinča Institute]

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Nada B Bošnjaković-Pavlović, Xiao Xu, Danijela Krstić, Jean-Michel Gillet, Yongge B Wei, et al.. Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays. Journal of Inorganic Biochemistry, 2019, 198, pp.110720. ⟨10.1016/j.jinorgbio.2019.110720⟩. ⟨hal-02163805⟩