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 - Tập 198 - Trang 110720 - 2019
Nada Bošnjaković-Pavlović1,2, Xiao Xu1,2, Danijela Krstić3, Jean-Michel Gillet1,2, Yongge Wei4, Pingfan Wu5, Mirjana Čolović6, Anne Spasojević-de Biré1,2
1Université Paris-Saclay, CentraleSupélec, Campus de Paris-Saclay, 8-10 rue Joliot-Curie, 91190 Gif-sur-Yvette, France
2CNRS, UMR 8580, Laboratory “Structures Propriétés et Modélisation des Solides” (SPMS), Campus de Gif, 8-10 rue Joliot-Curie, 91190 Gif-sur-Yvette, France
3Institute of Medical Chemistry, Faculty of Medicine, University of Belgrade, Serbia
4Department of Chemistry, Tsinghua University, 100084 Beijing, PR China
5Institute of POM-based Materials, The Synergistic Innovation Center of Catalysis Materials of Hubei Province, Hubei University of Technology, 430086 Wuhan, Hubei Province, PR China
6Department of Physical Chemistry, Vinča Institute of Nuclear Sciences, University of Belgrade, Serbia

Tài liệu tham khảo

Pope, 1994

Aureliano, 2005, Decavanadate effects in biological systems, J. Inorg. Biochem., 99, 979, 10.1016/j.jinorgbio.2005.02.024

Aureliano, 2009, Decavanadate: a journey in a search of a role, Dalton Trans., 9093, 10.1039/b907581j

Aureliano, 2014, Decavanadate in vitro and in vivo effects: facts and opinions, J. Inorg. Biochem., 137, 123, 10.1016/j.jinorgbio.2014.05.002

Monakhov, 2015, Semimetal-functionalised polyoxovanadates, Chem. Soc. Rev., 44, 8443, 10.1039/C5CS00531K

Pessoaa, 2015, Vanadium compounds in medicine, Coord. Chem. Rev., 301–302, 24, 10.1016/j.ccr.2014.12.002

Aureliano, 2016, Decavanadate toxicology and pharmacological activities: V10 or V1, both or none?, Oxidative Med. Cell. Longev., 1, 10.1155/2016/6103457

Qi, 2013, Inhibition of hepatitis C virus infection by polyoxometalates, Antivir. Res., 100, 392, 10.1016/j.antiviral.2013.08.025

Mitra, 2010, A molecular magnet confined in the nanocage of a globular protein, ChemPhysChem, 11, 389, 10.1002/cphc.200900708

Chen, 1990, Synthesis and structural characterization of a polyoxovanadate coordination complex with a hexametalate core: [(n-C4H9)4N]2[V6O13{O2NC(CH2O)3}2], Inorg. Chem., 29, 1456, 10.1021/ic00333a002

Chen, 1992, Coordination compounds of polyoxovanadates with a hexametalate core. Chemical and structural characterization of [VV6O13[(OCH2)3CR]2]2−, [VV6O11(OH)2[(OCH2)3CR]2] [VIV4VV2O9(OH)4[(OCH2)3CR]2]2−, and [VIV6O7(OH)6](OCH2)3CR]2]2−, J. Am. Chem. Soc., 114, 4667, 10.1021/ja00038a033

Müller, 1995, Cis-/trans-isomerie bei bis-(trisalkoxy)-hexavanadaten: cis-Na2[V6IVO7(OH)6{(OCH2)3CCH2OH}2]·8 H2O, cis-(CN3H6)3[VIVV5VO13{(OCH2)3CCH2OH}2]·4,5 H2O und trans-(CN3H6)2[V6VO13{(OCH2)3CCH2OH}2] · H2O, Z. Anorg. Allg. Chem., 621, 1818, 10.1002/zaac.19956211103

Yin, 2014, Spontaneous stepwise self-assembly of a polyoxometalate– organic hybrid into catalytically active one-dimensional anisotropic structures, Chem. Eur. J., 20, 9589, 10.1002/chem.201402974

J.K. Li, C.W. Hu. Progress in polyoxovanadate chemistry, Chinese J. Inorg. Chem. 31 (2015) 1705–1725. htpps://doi.org/10.11862/CJIC.2015.247.

Bayaguud, 2017, A simple synthetic route to polyoxovanadate-based organicinorganic hybrids using EEDQ as an ester-coupling agent, Dalton Trans., 46, 4602, 10.1039/C7DT00274B

Huang, 2017, Synthesis, crystal structure and spectroscopic studies of a series of hexavanadate hybrids with multiple functional groups, Inorg. Chem. Front., 4, 165, 10.1039/C6QI00302H

Ramos, 2012, Recent advances into vanadyl, vanadate and decavanadate interactions with actin, Metallomics, 4, 16, 10.1039/C1MT00124H

Sánchez-Lara, 2018, Decavanadate salts of cytosine and metformin: a combined experimental-theoretical study of potential metallodrugs against diabetes and cancer, Front Chem, 6, 10.3389/fchem.2018.00402

Treviño, 2016, Metforminium decavanadate as a potential metallopharmaceutical drug for the treatment of diabetes mellitus, Oxidative Med. Cell. Longev., 2016, 10.1155/2016/6058705

Carpéné, 2017, Insulin-mimetic compound hexaquis (benzylammonium) decavanadate is antilipolytic in human fat cells, World J. Diabetes, 8, 143, 10.4239/wjd.v8.i4.143

Tiago, 2007, Binding modes of decavanadate to myosin and inhibition of the actomyosin ATPase activity, Biochim. Biophys. Acta, 1771, 474, 10.1016/j.bbapap.2007.02.004

Steens, 2010, Hydrolytic cleavage of DNA-model substrates promoted by polyoxovanadates, Dalton Trans., 39, 585, 10.1039/B913471A

Fraqueza, 2012, Sarcoplasmic reticulum calcium ATPase interactions with decaniobate, decavanadate, vanadate, tungstate and molybdate, J. Inorg. Biochem., 107, 82, 10.1016/j.jinorgbio.2011.10.010

Fraqueza, 2012, Decavanadate, decaniobate, tungstate and molybdate interactions with sarcoplasmic reticulum Ca2+-ATPase: quercetin prevents cysteine oxidation by vanadate but does not reverse ATPase inhibition, Dalton Trans., 41, 12749, 10.1039/c2dt31688a

Ramos, 2012, A comparison between vanadyl, vanadate, and decavanadate effects in actin structure and function: combination of several spectroscopic studies, Spectrosc-Int J, 5-6, 355, 10.1155/2012/532904

Ramos, 2006, Decavanadate interactions with actin: inhibition of G-actin polymerization and stabilization of decameric vanadate, J. Inorg. Biochem., 100, 1734, 10.1016/j.jinorgbio.2006.06.007

Guo, 2018, In vitro anticandidal activity and mechanism of a polyoxovanadate functionalized by Zn-fluconazole complexes, Molecules, 23, 1122, 10.3390/molecules23051122

Bijelic, 2015, Hen egg-white lysozyme crystallisation: protein stacking and structure stability enhanced by a tellurium(VI)-centred polyoxotungstate, ChemBioChem, 16, 233, 10.1002/cbic.201402597

Cruciani, 2006, Applications in Drug Discovery and ADME Prediction

Krstić, 2009, Influence of decavanadate on rat synaptic plasma membrane ATPases activity, Gen. Physiol. Biophys., 28, 302, 10.4149/gpb_2009_03_302

Xu, 2016, A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na(+)/K(+)-ATPase, J. Inorg. Biochem., 161, 27, 10.1016/j.jinorgbio.2016.04.029

Vasilets, 1993, Structure-function relationships of cation binding in the Na+/K+-ATPase, Biochim. Biophys. Acta, 1154, 201, 10.1016/0304-4157(93)90012-D

Blasiak, 1995, Cooperative binding of the organophosphate paraoxon to the (Na+ + K+)-ATPase, Z. Naturforsch. C, 50, 660, 10.1515/znc-1995-9-1010

Krstić, 2004, Effects of digoxin and gitoxin on the enzymatic activity and kinetic parameters of Na+/K+-ATPase, J. Enz. Inhib. Med. Chem., 19, 409, 10.1080/14756360410001722065

Krstić, 2005, Inhibition of Na+/K+-ATPase and Mg2+-ATPase by metal ions and prevention and recovery of inhibited activities by chelators, J. Enz. Inhib. Med. Chem., 20, 469, 10.1080/14756360500213280

Pezza, 2002, Vanadate inhibits the ATPase activity and DNA binding capability of bacterial MutS. A structural model for the vanadate–MutS interaction at the Walker A motif, Nucleic Acids Res., 30, 4700, 10.1093/nar/gkf606

Aureliano, 2013, Ion pumps as biological targets for decavanadate, Dalton Trans., 42, 11770, 10.1039/c3dt50462j

Wu, 2011, DMAP-catalyzed esterification of pentaerythritol-derivatized POMs: a new route for the functionalization of polyoxometalates, Chem. Commun., 47, 5557, 10.1039/C1CC10650C

Xiao, 2016, An easy way to construct polyoxovanadate-based organic–inorganic hybrids by stepwise functionalization, Eur. J. Inorg. Chem., 808, 10.1002/ejic.201501297

Krstić, 2006, The influence of potassium ion (K+) on digoxin-induced inhibition of porcine cerebral cortex Na+/K+-ATPase, J. Enzym. Inhib. Med. Ch., 21, 471, 10.1080/14756360600642230

M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian, Inc., Wallingford CT, 2010.

Rassolov, 2001, 6-31G* basis set for third-row atoms, J. Comp. Chem., 22, 976, 10.1002/jcc.1058

Binning, 1990, Compact contracted basis sets for third-row atoms: Ga–Kr, J. Comp. Chem., 11, 1206, 10.1002/jcc.540111013

Bošnjaković-Pavlović, 2009, Electronic properties of a cytosine decavanadate: toward a better understanding of chemical and biological properties of decavanadates, Inorg. Chem., 48, 9742, 10.1021/ic9008575

Xu, 2015

Xu, 2017, Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study, Phys. Chem. Chem.Phys., 19, 18162, 10.1039/C7CP01840A

Ugo Varetto, (Molekel 5.4).

Keith

Carosati, 2004, Hydrogen bonding interactions of covalently bonded fluorine atoms: from crystallographic data to a new angular function in the GRID force field, J. Med. Chem., 47, 5114, 10.1021/jm0498349

Linnenberg, 2017, The Lindqvist hexavanadate: a platform for coordination-directed assembly, 39

Kurata, 2005, Cyclic polyvanadates incorporating template transition metal cationic species: synthesis and structures of hexavanadate [PdV6O18]4-, octavanadate [Cu2V8O24]4−, and decavanadate [Ni4V10O30(OH)2(H2O)6]4−, Inorg. Chem., 44, 2524, 10.1021/ic048751f

Khan, 1992, Hexavanadiuin polyoxo lkoxide anion clusters: structures of the mixed-valence species (Me3NH)[VIV5VVO7(OH)3{CH3C(CH2O)3}3] and of the reduced complex Na2[VIV6O7{CH3CH 2C(CH2O)3}4], Inorg. Chem., 31, 1556, 10.1021/ic00035a007

Spandl, 2003, Synthesis and structural characterization of redox-active dodecamethoxoheptaoxohexavanadium clusters, Angew. Chem. Int. Ed., 42, 1163, 10.1002/anie.200390306

Bošnjaković-Pavlović, 2011, Crystallographic statistical study of decavanadate anion based-structures: toward a prediction of noncovalent interactions, Cryst. Growth Des., 11, 3778, 10.1021/cg200236d

Kühlbrandt, 2004, Biology, structure and mechanism of P-type ATPases, Nat. Rev. Mol. Cell Biol., 5, 282, 10.1038/nrm1354