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

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作者： Nada,Bošnjaković-Pavlović ^[1] ; Xiao,Xu ^[1] ; Danijela,Krstić ^[2] ; Jean-Michel,Gillet ^[1] ; Yongge,Wei ^[3] ; Pingfan,Wu ^[4] ; Mirjana,Čolović ^[5] ; Anne,Spasojević-de Biré ^[6]

作者单位： Université Paris-Saclay, CentraleSupélec, Campus de Paris-Saclay, 8-10 rue Joliot-Curie, 91190 Gif-sur-Yvette, France; CNRS, UMR 8580, Laboratory "Structures Propriétés et Modélisation des Solides" (SPMS), Campus de Gif, 8-10 rue Joliot-Curie, 91190 Gif-sur-Yvette, France. ^[1] Institute of Medical Chemistry, Faculty of Medicine, University of Belgrade, Serbia. ^[2] Department of Chemistry, Tsinghua University, 100084 Beijing, PR China. ^[3] Institute of POM-based Materials, The Synergistic Innovation Center of Catalysis Materials of Hubei Province, Hubei University of Technology, 430086 Wuhan, Hubei Province, PR China. ^[4] Department of Physical Chemistry, Vinča Institute of Nuclear Sciences, University of Belgrade, Serbia. ^[5] Université Paris-Saclay, CentraleSupélec, Campus de Paris-Saclay, 8-10 rue Joliot-Curie, 91190 Gif-sur-Yvette, France; CNRS, UMR 8580, Laboratory "Structures Propriétés et Modélisation des Solides" (SPMS), Campus de Gif, 8-10 rue Joliot-Curie, 91190 Gif-sur-Yvette, France. Electronic address: anne.spasojevic@centralesupelec.fr. ^[6]

关键词 Electrostatic potential Functionalized hexavanadate Inhibition Molecular interaction field Na(+)/K(+)-ATPase

主题词动物(Animals);酶抑制剂(Enzyme Inhibitors);模型, 化学(Models, Chemical);钠钾交换ATP酶(Sodium-Potassium-Exchanging ATPase);猪(Swine);钒酸盐类(Vanadates)

DOI 10.1016/j.jinorgbio.2019.110720

PMID 31150927

发布时间 2020-05-22

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