Приказ основних података о документу
Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays
dc.creator | Bošnjaković-Pavlović, Nada | |
dc.creator | Xu, Xiao | |
dc.creator | Krstić, Danijela Z. | |
dc.creator | Gillet, Jean-Michel | |
dc.creator | Wei, Yongge | |
dc.creator | Wu, Pingfan | |
dc.creator | Čolović, Mirjana B. | |
dc.creator | Spasojević-de Bire, Anne | |
dc.date.accessioned | 2019-11-22T09:58:46Z | |
dc.date.available | 2019-11-22T09:58:46Z | |
dc.date.issued | 2019 | |
dc.identifier.issn | 0162-0134 | |
dc.identifier.issn | 1873-3344 | |
dc.identifier.uri | https://linkinghub.elsevier.com/retrieve/pii/S0162013418306998 | |
dc.identifier.uri | https://vinar.vin.bg.ac.rs/handle/123456789/8355 | |
dc.description.abstract | The influence of three functionalized hexavanadates (V6): Na2 [V6O13{(OCH2)3CCH3}2], [H2]2 [V6O13{(OCH2)3CCH2OCOCH2CH3}2] and [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OOC(CH3)2-COOH}2 on Na+/K+-ATPase activity, was investigated in vitro. Including compounds already tested by Xu et al. (Journal of Inorganic Biochemistry 161 (2016) 27–36), all functionalized hexavanadates inhibit the activity of Na+/K+-ATPase in a dose-dependent manner but with different inhibitory potencies. Na2 [V6O13{(OCH2)3CCH3}2] was found to have the best inhibition properties - showing 50% inhibition IC50 = 5.50 × 10−5 M, while [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OOC(CH3)2-COOH}2] showed the lowest inhibitory power, IC50 = 1.31 × 10−4 M. In order to understand the bioactivity of functionalized hexavanadates series, we have also used a combined theoretical approach: determination of electrostatic potential from ab initio theoretical calculations and computation of the molecular interaction field (MIF) surface. © 2019 | en |
dc.language.iso | en | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172023/RS// | |
dc.relation | Chinese Science of Council | |
dc.relation | National Natural Science Foundation of China [21471087, 21631007, 21225103] | |
dc.relation | Campus France for a PHC support ["Pavle Savić" 23643QC] | |
dc.relation | Campus France for a Prestige grant | |
dc.rights | restrictedAccess | |
dc.source | Journal of Inorganic Biochemistry | |
dc.subject | Functionalized hexavanadate | en |
dc.subject | Na+/K+-ATPase | en |
dc.subject | Inhibition | en |
dc.subject | Electrostatic potential | en |
dc.subject | Molecular interaction field | en |
dc.title | Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays | en |
dc.type | article | en |
dc.rights.license | ARR | |
dcterms.abstract | Чоловић, Мирјана; Спасојевић-де Бирé, Aнне; Wу, Пингфан; Xу, Xиао; Гиллет, Јеан-Мицхел; Wеи, Yонгге; Бошњаковић-Павловић, Нада; Крстић, Данијела; | |
dc.rights.holder | © 2019 Published by Elsevier Inc. | |
dc.citation.volume | 198 | |
dc.citation.spage | 110720 | |
dc.identifier.wos | 000476962700001 | |
dc.identifier.doi | 10.1016/j.jinorgbio.2019.110720 | |
dc.citation.rank | M21 | |
dc.identifier.pmid | 31150927 | |
dc.type.version | publishedVersion | |
dc.identifier.scopus | 2-s2.0-85067996709 |
Документи
Овај документ се појављује у следећим колекцијама
-
Radovi istraživača
Researchers' publications