The structural model of Zika virus RNA-dependent RNA polymerase in complex with RNA for rational design of novel nucleotide inhibitors

Zika virus is a global health threat due to significantly elevated risk of fetus malformations in infected pregnant women. Currently, neither an effective therapy nor a prophylactic vaccination is available for clinical use, desperately necessitating novel therapeutics and approaches to obtain them....

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Published inScientific reports Vol. 8; no. 1; pp. 11132 - 13
Main Authors Šebera, Jakub, Dubankova, Anna, Sychrovský, Vladimír, Ruzek, Daniel, Boura, Evzen, Nencka, Radim
Format Journal Article
LanguageEnglish
Published London Nature Publishing Group UK 24.07.2018
Nature Publishing Group
Subjects
119/118
631/114/2397
631/326/596
Adenosine - analogs & derivatives
Adenosine - chemistry
Adenosine - pharmacology
Antiviral agents
DNA-directed RNA polymerase
Fetuses
Global health
Health risks
Humanities and Social Sciences
Humans
Magnesium
Magnesium - chemistry
Models, Molecular
Molecular Docking Simulation
multidisciplinary
Nucleoside analogs
Nucleosides - chemistry
Nucleotide analogs
Nucleotides - chemistry
Polyphosphates - chemistry
Protein Conformation - drug effects
RNA - chemistry
RNA - genetics
RNA polymerase
RNA Replicase - chemistry
RNA Replicase - genetics
RNA viruses
RNA-directed RNA polymerase
Science
Science (multidisciplinary)
Vaccination
Vector-borne diseases
Viral Nonstructural Proteins - chemistry
Viral Nonstructural Proteins - genetics
Virus Replication - genetics
Zika virus
Zika Virus - chemistry
Zika Virus - genetics
Zika Virus - pathogenicity
Zika Virus Infection - genetics
Zika Virus Infection - virology
Online AccessGet full text
ISSN2045-2322
2045-2322
DOI10.1038/s41598-018-29459-7

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Abstract Zika virus is a global health threat due to significantly elevated risk of fetus malformations in infected pregnant women. Currently, neither an effective therapy nor a prophylactic vaccination is available for clinical use, desperately necessitating novel therapeutics and approaches to obtain them. Here, we present a structural model of the Zika virus RNA-dependent RNA polymerase (ZIKV RdRp) in complex with template and nascent RNAs, Mg 2+ ions and accessing nucleoside triphosphate. The model allowed for docking studies aimed at effective pre-screening of potential inhibitors of ZIKV RdRp. Applicability of the structural model for docking studies was illustrated with the NITD008 artificial nucleotide that is known to effectively inhibit the function of the ZIKV RdRp. The ZIKV RdRp – RNA structural model is provided for all possible variations of the nascent RNA bases pairs to enhance its general utility in docking and modelling experiments. The developed model makes the rational design of novel nucleosides and nucleotide analogues feasible and thus provides a solid platform for the development of advanced antiviral therapy.
AbstractList Zika virus is a global health threat due to significantly elevated risk of fetus malformations in infected pregnant women. Currently, neither an effective therapy nor a prophylactic vaccination is available for clinical use, desperately necessitating novel therapeutics and approaches to obtain them. Here, we present a structural model of the Zika virus RNA-dependent RNA polymerase (ZIKV RdRp) in complex with template and nascent RNAs, Mg ions and accessing nucleoside triphosphate. The model allowed for docking studies aimed at effective pre-screening of potential inhibitors of ZIKV RdRp. Applicability of the structural model for docking studies was illustrated with the NITD008 artificial nucleotide that is known to effectively inhibit the function of the ZIKV RdRp. The ZIKV RdRp - RNA structural model is provided for all possible variations of the nascent RNA bases pairs to enhance its general utility in docking and modelling experiments. The developed model makes the rational design of novel nucleosides and nucleotide analogues feasible and thus provides a solid platform for the development of advanced antiviral therapy.
Zika virus is a global health threat due to significantly elevated risk of fetus malformations in infected pregnant women. Currently, neither an effective therapy nor a prophylactic vaccination is available for clinical use, desperately necessitating novel therapeutics and approaches to obtain them. Here, we present a structural model of the Zika virus RNA-dependent RNA polymerase (ZIKV RdRp) in complex with template and nascent RNAs, Mg 2+ ions and accessing nucleoside triphosphate. The model allowed for docking studies aimed at effective pre-screening of potential inhibitors of ZIKV RdRp. Applicability of the structural model for docking studies was illustrated with the NITD008 artificial nucleotide that is known to effectively inhibit the function of the ZIKV RdRp. The ZIKV RdRp – RNA structural model is provided for all possible variations of the nascent RNA bases pairs to enhance its general utility in docking and modelling experiments. The developed model makes the rational design of novel nucleosides and nucleotide analogues feasible and thus provides a solid platform for the development of advanced antiviral therapy.
Zika virus is a global health threat due to significantly elevated risk of fetus malformations in infected pregnant women. Currently, neither an effective therapy nor a prophylactic vaccination is available for clinical use, desperately necessitating novel therapeutics and approaches to obtain them. Here, we present a structural model of the Zika virus RNA-dependent RNA polymerase (ZIKV RdRp) in complex with template and nascent RNAs, Mg2+ ions and accessing nucleoside triphosphate. The model allowed for docking studies aimed at effective pre-screening of potential inhibitors of ZIKV RdRp. Applicability of the structural model for docking studies was illustrated with the NITD008 artificial nucleotide that is known to effectively inhibit the function of the ZIKV RdRp. The ZIKV RdRp – RNA structural model is provided for all possible variations of the nascent RNA bases pairs to enhance its general utility in docking and modelling experiments. The developed model makes the rational design of novel nucleosides and nucleotide analogues feasible and thus provides a solid platform for the development of advanced antiviral therapy.
Zika virus is a global health threat due to significantly elevated risk of fetus malformations in infected pregnant women. Currently, neither an effective therapy nor a prophylactic vaccination is available for clinical use, desperately necessitating novel therapeutics and approaches to obtain them. Here, we present a structural model of the Zika virus RNA-dependent RNA polymerase (ZIKV RdRp) in complex with template and nascent RNAs, Mg2+ ions and accessing nucleoside triphosphate. The model allowed for docking studies aimed at effective pre-screening of potential inhibitors of ZIKV RdRp. Applicability of the structural model for docking studies was illustrated with the NITD008 artificial nucleotide that is known to effectively inhibit the function of the ZIKV RdRp. The ZIKV RdRp - RNA structural model is provided for all possible variations of the nascent RNA bases pairs to enhance its general utility in docking and modelling experiments. The developed model makes the rational design of novel nucleosides and nucleotide analogues feasible and thus provides a solid platform for the development of advanced antiviral therapy.Zika virus is a global health threat due to significantly elevated risk of fetus malformations in infected pregnant women. Currently, neither an effective therapy nor a prophylactic vaccination is available for clinical use, desperately necessitating novel therapeutics and approaches to obtain them. Here, we present a structural model of the Zika virus RNA-dependent RNA polymerase (ZIKV RdRp) in complex with template and nascent RNAs, Mg2+ ions and accessing nucleoside triphosphate. The model allowed for docking studies aimed at effective pre-screening of potential inhibitors of ZIKV RdRp. Applicability of the structural model for docking studies was illustrated with the NITD008 artificial nucleotide that is known to effectively inhibit the function of the ZIKV RdRp. The ZIKV RdRp - RNA structural model is provided for all possible variations of the nascent RNA bases pairs to enhance its general utility in docking and modelling experiments. The developed model makes the rational design of novel nucleosides and nucleotide analogues feasible and thus provides a solid platform for the development of advanced antiviral therapy.
ArticleNumber 11132
Author Šebera, Jakub
Sychrovský, Vladimír
Ruzek, Daniel
Nencka, Radim
Boura, Evzen
Dubankova, Anna
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Cites_doi 10.1107/S2053230X17001601
10.1016/j.jmb.2013.12.031
10.1016/j.antiviral.2014.02.006
10.1016/j.bbrc.2016.11.098
10.1016/j.cell.2010.03.050
10.1016/j.jcv.2016.08.297
10.1159/000453396
10.1007/BF00533485
10.1016/S0140-6736(08)60238-X
10.1002/mrd.22489
10.1021/bi500814t
10.1063/1.464913
10.1016/j.jsb.2011.09.006
10.1093/nar/gkp783
10.1002/qua.24481
10.1099/0022-1317-40-1-233
10.1103/PhysRevB.37.785
10.1002/jcc.20084
10.1021/acs.jmedchem.6b01465
10.1063/1.445869
10.1007/BF00554788
10.1016/S0140-6736(16)00644-9
10.1056/NEJMc1602964
10.1016/j.jmb.2009.04.069
10.1021/ja9621760
10.1016/j.antiviral.2016.03.013
10.1016/j.molcel.2006.03.013
10.1021/cr9904009
10.1016/j.antiviral.2008.06.007
10.1103/PhysRevLett.77.3865
10.1038/s41598-017-17621-6
10.1002/prot.21249
10.1016/S0065-3527(03)59002-9
10.1016/S0140-6736(16)00564-X
10.1021/jm901044z
10.1021/acs.jpcb.6b08581
10.1073/pnas.1117597109
10.1126/science.aai9309
10.1016/j.antiviral.2008.05.003
10.1128/JVI.74.2.851-863.2000
10.3390/ijms160612943
10.1016/S0140-6736(16)00080-5
10.1016/S1473-3099(16)30010-X
10.1126/science.1259210
10.1016/0035-9203(52)90042-4
10.1016/j.cell.2010.11.030
10.1021/jacs.6b05475
10.1002/prot.20660
10.1038/ncomms14764
10.1128/JVI.02283-06
10.1001/jamaneurol.2016.0800
10.1073/pnas.0907010106
10.1002/jcc.21256
10.1016/j.virusres.2017.01.020
10.1186/1471-2105-7-339
10.1016/j.jcv.2016.10.024
10.1021/j100142a004
10.1002/jcc.21334
10.1063/1.448800
10.1038/ncomms14762
10.15252/embr.201438841
10.1093/infdis/jiw226
10.1016/j.antiviral.2016.11.020
10.1007/s00705-017-3345-x
10.1021/acs.jmedchem.5b00499
10.1093/ofid/ofw175
10.1063/1.3382344
10.1038/srep23641
10.1063/1.1677527
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References Trott, Olson (CR55) 2010; 31
Lu, Gong (CR64) 2017; 234
Bogoch (CR11) 2016; 387
Zhang (CR22) 2016
Klvana, Bren, Florian (CR61) 2016; 120
Flamand, Delagneau, Bussereau (CR65) 1978; 40
Hercik, Brynda, Nencka, Boura (CR21) 2017; 162
Godoy (CR23) 2017; 8
Zhao (CR24) 2017; 8
Genna, Vidossich, Ippoliti, Carloni, De Vivo (CR37) 2016; 138
Carteaux (CR9) 2016; 374
Dubankova, Humpolickova, Klima, Boura (CR72) 2017; 7
Jorgensen, Maxwell, TiradoRives (CR35) 1996; 118
Upadhyay (CR15) 2017; 73
CR34
Schindelin, Rueden, Hiner, Eliceiri (CR43) 2015; 82
Yap (CR26) 2007; 81
CR32
Sholders, Peersen (CR67) 2014; 426
Hurley, Boura, Carlson, Rozycki (CR69) 2010; 143
Perdew, Burke, Ernzerhof (CR38) 1996; 77
Zamyatkin, Parra, Machin, Grochulski, Ng (CR30) 2009; 390
Dick, Kitchen, Haddow (CR2) 1952; 46
Lee, Yang, Parr (CR48) 1988; 37
Sychrovsky (CR59) 2009; 37
Wu, Liu, Gong (CR68) 2015; 16
Yang (CR58) 2012; 179
Luo (CR60) 2000; 74
Beckham, Pastula, Massey, Tyler (CR4) 2016; 73
Lindenbach, Rice (CR12) 2003; 59
CR49
Gould, Solomon (CR1) 2008; 371
CR42
Morris (CR44) 2009; 30
Lo, Shi, Chen, Flint, Spiropoulou (CR63) 2016; 130
Caillet-Saguy, Lim, Shi, Lescar, Bressanelli (CR17) 2014; 105
Becke (CR47) 1993; 98
Pettersen (CR29) 2004; 25
Harihara, Pople (CR50) 1973; 28
Bayly, Cieplak, Cornell, Kollman (CR46) 1993; 97
Malet (CR18) 2008; 80
Meng, Pettersen, Couch, Huang, Ferrin (CR28) 2006; 7
Smith, Mackenzie (CR5) 2016; 387
Dong, Zhang, Shi (CR16) 2008; 80
Azevedo (CR10) 2016; 85
CR14
Jerabek, Florian, Stiborova, Martinek (CR36) 2014; 53
CR53
CR52
CR51
Mejdrova (CR56) 2017; 60
Appleby (CR27) 2015; 347
Hercik (CR20) 2017; 137
Baumlova (CR41) 2014; 15
Tomasi, Mennucci, Cammi (CR54) 2005; 105
Bochevarov (CR45) 2013; 113
Wikan, Smith (CR3) 2016; 16
Chen (CR74) 2007; 67
Mecharles (CR8) 2016; 387
Eyer (CR19) 2016; 214
Boura, Hurley (CR70) 2012; 109
Mejdrová (CR57) 2015; 58
Zhang (CR13) 2016; 354
Niemeyer, Niemeyer, Borges, Marchiori (CR6) 2017; 77
Schlegel (CR40) 1984; 66
Yang, Lee, Nowotny (CR66) 2006; 22
Jorgensen, Chandrasekhar, Madura, Impey, Klein (CR33) 1983; 79
CR62
Li, Robertson, Jensen (CR31) 2005; 61
Hsu (CR71) 2010; 141
Yin (CR25) 2009; 52
Soares (CR7) 2016; 83
Wadt, Hay (CR39) 1985; 82
Yin (CR73) 2009; 106
29459_CR52
29459_CR53
29459_CR51
S Mecharles (29459_CR8) 2016; 387
AJ Sholders (29459_CR67) 2014; 426
L Eyer (29459_CR19) 2016; 214
CI Bayly (29459_CR46) 1993; 97
CT Lee (29459_CR48) 1988; 37
N Wikan (29459_CR3) 2016; 16
P Jerabek (29459_CR36) 2014; 53
G Luo (29459_CR60) 2000; 74
RS Azevedo (29459_CR10) 2016; 85
EA Gould (29459_CR1) 2008; 371
H Li (29459_CR31) 2005; 61
GM Morris (29459_CR44) 2009; 30
H Malet (29459_CR18) 2008; 80
29459_CR49
WL Jorgensen (29459_CR33) 1983; 79
W Yang (29459_CR66) 2006; 22
C Caillet-Saguy (29459_CR17) 2014; 105
AK Upadhyay (29459_CR15) 2017; 73
V Sychrovsky (29459_CR59) 2009; 37
29459_CR62
Z Yang (29459_CR58) 2012; 179
HP Dong (29459_CR16) 2008; 80
C Zhang (29459_CR22) 2016
P Harihara (29459_CR50) 1973; 28
WR Wadt (29459_CR39) 1985; 82
DF Zamyatkin (29459_CR30) 2009; 390
J Schindelin (29459_CR43) 2015; 82
I Mejdrová (29459_CR57) 2015; 58
EC Meng (29459_CR28) 2006; 7
A Flamand (29459_CR65) 1978; 40
Z Yin (29459_CR25) 2009; 52
JD Beckham (29459_CR4) 2016; 73
M Klvana (29459_CR61) 2016; 120
J Wu (29459_CR68) 2015; 16
29459_CR14
TL Yap (29459_CR26) 2007; 81
E Boura (29459_CR70) 2012; 109
II Bogoch (29459_CR11) 2016; 387
29459_CR34
29459_CR32
G Carteaux (29459_CR9) 2016; 374
G Lu (29459_CR64) 2017; 234
GW Dick (29459_CR2) 1952; 46
CN Soares (29459_CR7) 2016; 83
A Dubankova (29459_CR72) 2017; 7
JP Perdew (29459_CR38) 1996; 77
Z Zhang (29459_CR13) 2016; 354
MK Lo (29459_CR63) 2016; 130
AD Bochevarov (29459_CR45) 2013; 113
A Baumlova (29459_CR41) 2014; 15
JH Hurley (29459_CR69) 2010; 143
NY Hsu (29459_CR71) 2010; 141
AS Godoy (29459_CR23) 2017; 8
HB Schlegel (29459_CR40) 1984; 66
DL Chen (29459_CR74) 2007; 67
EF Pettersen (29459_CR29) 2004; 25
29459_CR42
O Trott (29459_CR55) 2010; 31
K Hercik (29459_CR21) 2017; 162
WL Jorgensen (29459_CR35) 1996; 118
B Niemeyer (29459_CR6) 2017; 77
DW Smith (29459_CR5) 2016; 387
Z Yin (29459_CR73) 2009; 106
V Genna (29459_CR37) 2016; 138
TC Appleby (29459_CR27) 2015; 347
I Mejdrova (29459_CR56) 2017; 60
AD Becke (29459_CR47) 1993; 98
J Tomasi (29459_CR54) 2005; 105
K Hercik (29459_CR20) 2017; 137
BD Lindenbach (29459_CR12) 2003; 59
B Zhao (29459_CR24) 2017; 8
References_xml – volume: 73
  start-page: 116
  year: 2017
  end-page: 122
  ident: CR15
  article-title: Crystal structure of full-length Zika virus NS5 protein reveals a conformation similar to Japanese encephalitis virus NS5
  publication-title: Acta Crystallogr F Struct Biol Commun
  doi: 10.1107/S2053230X17001601
– volume: 426
  start-page: 1407
  year: 2014
  end-page: 1419
  ident: CR67
  article-title: Distinct Conformations of a Putative Translocation Element in Poliovirus Polymerase
  publication-title: Journal of Molecular Biology
  doi: 10.1016/j.jmb.2013.12.031
– volume: 105
  start-page: 8
  year: 2014
  end-page: 16
  ident: CR17
  article-title: Polymerases of hepatitis C viruses and flaviviruses: structural and mechanistic insights and drug development
  publication-title: Antiviral research
  doi: 10.1016/j.antiviral.2014.02.006
– year: 2016
  ident: CR22
  article-title: Structure of the NS5 methyltransferase from Zika virus and implications in inhibitor design
  publication-title: Biochemical and biophysical research communications
  doi: 10.1016/j.bbrc.2016.11.098
– ident: CR49
– volume: 141
  start-page: 799
  year: 2010
  end-page: 811
  ident: CR71
  article-title: Viral reorganization of the secretory pathway generates distinct organelles for RNA replication
  publication-title: Cell
  doi: 10.1016/j.cell.2010.03.050
– volume: 83
  start-page: 63
  year: 2016
  end-page: 65
  ident: CR7
  article-title: Fatal encephalitis associated with Zika virus infection in an adult
  publication-title: Journal of clinical virology: the official publication of the Pan American Society for Clinical Virology
  doi: 10.1016/j.jcv.2016.08.297
– volume: 77
  start-page: 45
  year: 2017
  end-page: 46
  ident: CR6
  article-title: Acute Disseminated Encephalomyelitis Following Zika Virus Infection
  publication-title: Eur Neurol
  doi: 10.1159/000453396
– ident: CR51
– volume: 28
  start-page: 213
  year: 1973
  end-page: 222
  ident: CR50
  article-title: Influence of Polarization Functions on Molecular-Orbital Hydrogenation Energies
  publication-title: Theoretica Chimica Acta
  doi: 10.1007/BF00533485
– volume: 371
  start-page: 500
  year: 2008
  end-page: 509
  ident: CR1
  article-title: Pathogenic flaviviruses
  publication-title: Lancet
  doi: 10.1016/S0140-6736(08)60238-X
– volume: 82
  start-page: 518
  year: 2015
  end-page: 529
  ident: CR43
  article-title: The ImageJ ecosystem: An open platform for biomedical image analysis
  publication-title: Molecular reproduction and development
  doi: 10.1002/mrd.22489
– volume: 53
  start-page: 6695
  year: 2014
  end-page: 6705
  ident: CR36
  article-title: Flexible docking-based molecular dynamics/steered molecular dynamics calculations of protein-protein contacts in a complex of cytochrome P450 1A2 with cytochrome b5
  publication-title: Biochemistry
  doi: 10.1021/bi500814t
– volume: 98
  start-page: 5648
  year: 1993
  end-page: 5652
  ident: CR47
  article-title: Density-Functional Thermochemistry .3. The Role of Exact Exchange
  publication-title: Journal of Chemical Physics
  doi: 10.1063/1.464913
– volume: 179
  start-page: 269
  year: 2012
  end-page: 278
  ident: CR58
  article-title: UCSF Chimera, MODELLER, and IMP: an integrated modeling system
  publication-title: Journal of structural biology
  doi: 10.1016/j.jsb.2011.09.006
– volume: 37
  start-page: 7321
  year: 2009
  end-page: 7331
  ident: CR59
  article-title: Revisiting the planarity of nucleic acid bases: Pyramidilization at glycosidic nitrogen in purine bases is modulated by orientation of glycosidic torsion
  publication-title: Nucleic Acids Res
  doi: 10.1093/nar/gkp783
– volume: 113
  start-page: 2110
  year: 2013
  end-page: 2142
  ident: CR45
  article-title: Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences
  publication-title: Int J Quantum Chem
  doi: 10.1002/qua.24481
– volume: 40
  start-page: 233
  year: 1978
  end-page: 238
  ident: CR65
  article-title: Rna-Polymerase Activity In Purified Rabies Virions
  publication-title: Journal of General Virology
  doi: 10.1099/0022-1317-40-1-233
– volume: 37
  start-page: 785
  year: 1988
  end-page: 789
  ident: CR48
  article-title: Development of The Colle-Salvetti Correlation-Energy Formula Into a Functional of The Electron-Density
  publication-title: Physical Review B
  doi: 10.1103/PhysRevB.37.785
– volume: 25
  start-page: 1605
  year: 2004
  end-page: 1612
  ident: CR29
  article-title: UCSF Chimera–a visualization system for exploratory research and analysis
  publication-title: Journal of computational chemistry
  doi: 10.1002/jcc.20084
– ident: CR42
– volume: 60
  start-page: 100
  year: 2017
  end-page: 118
  ident: CR56
  article-title: Rational Design of Novel Highly Potent and Selective Phosphatidylinositol 4-Kinase III beta (PI4KB) Inhibitors as Broad-Spectrum Antiviral Agents and Tools for Chemical Biology
  publication-title: Journal of Medicinal Chemistry
  doi: 10.1021/acs.jmedchem.6b01465
– volume: 79
  start-page: 926
  year: 1983
  end-page: 935
  ident: CR33
  article-title: Comparison of Simple Potential Functions For Simulating Liquid Water
  publication-title: Journal of Chemical Physics
  doi: 10.1063/1.445869
– volume: 66
  start-page: 333
  year: 1984
  end-page: 340
  ident: CR40
  article-title: Estimating the Hessian for Gradient-Type Geometry Optimizations
  publication-title: Theor Chim Acta
  doi: 10.1007/BF00554788
– volume: 387
  start-page: 1481
  year: 2016
  end-page: 1481
  ident: CR8
  article-title: Acute myelitis due to Zika virus infection
  publication-title: Lancet
  doi: 10.1016/S0140-6736(16)00644-9
– volume: 374
  start-page: 1595
  year: 2016
  end-page: 1596
  ident: CR9
  article-title: Zika Virus Associated with Meningoencephalitis
  publication-title: The New England journal of medicine
  doi: 10.1056/NEJMc1602964
– volume: 390
  start-page: 10
  year: 2009
  end-page: 16
  ident: CR30
  article-title: Binding of 2′-amino-2′-deoxycytidine-5′-triphosphate to norovirus polymerase induces rearrangement of the active site
  publication-title: Journal of molecular biology
  doi: 10.1016/j.jmb.2009.04.069
– volume: 118
  start-page: 11225
  year: 1996
  end-page: 11236
  ident: CR35
  article-title: Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
  publication-title: Journal of the American Chemical Society
  doi: 10.1021/ja9621760
– volume: 130
  start-page: 46
  year: 2016
  end-page: 49
  ident: CR63
  article-title: antiviral activity of adenosine analog NITD008 against tick borne flaviviruses
  publication-title: Antiviral Research
  doi: 10.1016/j.antiviral.2016.03.013
– volume: 22
  start-page: 5
  year: 2006
  end-page: 13
  ident: CR66
  article-title: Making and breaking nucleic acids: Two-Mg2+ -ion catalysis and substrate specificity
  publication-title: Molecular Cell
  doi: 10.1016/j.molcel.2006.03.013
– volume: 105
  start-page: 2999
  year: 2005
  end-page: 3093
  ident: CR54
  article-title: Quantum mechanical continuum solvation models
  publication-title: Chemical Reviews
  doi: 10.1021/cr9904009
– ident: CR32
– volume: 80
  start-page: 23
  year: 2008
  end-page: 35
  ident: CR18
  article-title: The flavivirus polymerase as a target for drug discovery
  publication-title: Antiviral research
  doi: 10.1016/j.antiviral.2008.06.007
– volume: 77
  start-page: 3865
  year: 1996
  end-page: 3868
  ident: CR38
  article-title: Generalized gradient approximation made simple
  publication-title: Physical review letters
  doi: 10.1103/PhysRevLett.77.3865
– volume: 7
  year: 2017
  ident: CR72
  article-title: Negative charge and membrane-tethered viral 3B cooperate to recruit viral RNA dependent RNA polymerase 3D (pol)
  publication-title: Scientific reports
  doi: 10.1038/s41598-017-17621-6
– volume: 67
  start-page: 593
  year: 2007
  end-page: 605
  ident: CR74
  article-title: Accounting for ligand-bound metal ions in docking small molecules on adenylyl cyclase toxins
  publication-title: Proteins-Structure Function and Bioinformatics
  doi: 10.1002/prot.21249
– volume: 59
  start-page: 23
  year: 2003
  end-page: 61
  ident: CR12
  article-title: Molecular biology of flaviviruses
  publication-title: Advances in virus research
  doi: 10.1016/S0065-3527(03)59002-9
– volume: 387
  start-page: 1486
  year: 2016
  end-page: 1488
  ident: CR5
  article-title: Zika virus and Guillain-Barre syndrome: another viral cause to add to the list
  publication-title: Lancet
  doi: 10.1016/S0140-6736(16)00564-X
– volume: 52
  start-page: 7934
  year: 2009
  end-page: 7937
  ident: CR25
  article-title: N-Sulfonylanthranilic Acid Derivatives as Allosteric Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase
  publication-title: Journal of Medicinal Chemistry
  doi: 10.1021/jm901044z
– volume: 120
  start-page: 13017
  year: 2016
  end-page: 13030
  ident: CR61
  article-title: Uniform Free-Energy Profiles of the P-O Bond Formation and Cleavage Reactions Catalyzed by DNA Polymerases beta and lambda
  publication-title: The journal of physical chemistry. B
  doi: 10.1021/acs.jpcb.6b08581
– volume: 109
  start-page: 1901
  year: 2012
  end-page: 1906
  ident: CR70
  article-title: Structural basis for membrane targeting by the MVB12-associated beta-prism domain of the human ESCRT-I MVB12 subunit
  publication-title: Proceedings of the National Academy of Sciences of the United States of America
  doi: 10.1073/pnas.1117597109
– volume: 354
  start-page: 1597
  year: 2016
  end-page: 1600
  ident: CR13
  article-title: Crystal structure of unlinked NS2B-NS3 protease from Zika virus
  publication-title: Science
  doi: 10.1126/science.aai9309
– volume: 80
  start-page: 1
  year: 2008
  end-page: 10
  ident: CR16
  article-title: Flavivirus methyltransferase: A novel antiviral target
  publication-title: Antiviral Research
  doi: 10.1016/j.antiviral.2008.05.003
– volume: 74
  start-page: 851
  year: 2000
  end-page: 863
  ident: CR60
  article-title: De novo initiation of RNA synthesis by the RNA-dependent RNA polymerase (NS5B) of hepatitis C virus
  publication-title: Journal of virology
  doi: 10.1128/JVI.74.2.851-863.2000
– ident: CR14
– volume: 16
  start-page: 12943
  year: 2015
  end-page: 12957
  ident: CR68
  article-title: A Structural Overview of RNA-Dependent RNA Polymerases from the Flaviviridae Family
  publication-title: International Journal of Molecular Sciences
  doi: 10.3390/ijms160612943
– ident: CR53
– volume: 387
  start-page: 335
  year: 2016
  end-page: 336
  ident: CR11
  article-title: Anticipating the international spread of Zika virus from Brazil
  publication-title: Lancet
  doi: 10.1016/S0140-6736(16)00080-5
– volume: 16
  start-page: e119
  year: 2016
  end-page: 126
  ident: CR3
  article-title: Zika virus: history of a newly emerging arbovirus
  publication-title: The Lancet. Infectious diseases
  doi: 10.1016/S1473-3099(16)30010-X
– volume: 347
  start-page: 771
  year: 2015
  end-page: 775
  ident: CR27
  article-title: Viral replication. Structural basis for RNA replication by the hepatitis C virus polymerase
  publication-title: Science
  doi: 10.1126/science.1259210
– volume: 46
  start-page: 509
  year: 1952
  end-page: 520
  ident: CR2
  article-title: Zika virus. I. Isolations and serological specificity
  publication-title: Transactions of the Royal Society of Tropical Medicine and Hygiene
  doi: 10.1016/0035-9203(52)90042-4
– volume: 143
  start-page: 875
  year: 2010
  end-page: 887
  ident: CR69
  article-title: Membrane budding
  publication-title: Cell
  doi: 10.1016/j.cell.2010.11.030
– volume: 138
  start-page: 14592
  year: 2016
  end-page: 14598
  ident: CR37
  article-title: A Self-Activated Mechanism for Nucleic Acid Polymerization Catalyzed by DNA/RNA Polymerases
  publication-title: Journal of the American Chemical Society
  doi: 10.1021/jacs.6b05475
– volume: 61
  start-page: 704
  year: 2005
  end-page: 721
  ident: CR31
  article-title: Very fast empirical prediction and rationalization of protein pK(a) values
  publication-title: Proteins-Structure Function and Bioinformatics
  doi: 10.1002/prot.20660
– volume: 8
  year: 2017
  ident: CR23
  article-title: Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase
  publication-title: Nature communications
  doi: 10.1038/ncomms14764
– volume: 81
  start-page: 4753
  year: 2007
  end-page: 4765
  ident: CR26
  article-title: Crystal structure of the dengue virus RNA-dependent RNA polymerase catalytic domain at 1.85-angstrom resolution
  publication-title: J Virol
  doi: 10.1128/JVI.02283-06
– volume: 73
  start-page: 875
  year: 2016
  end-page: 879
  ident: CR4
  article-title: Zika Virus as an Emerging Global Pathogen: Neurological Complications of Zika Virus
  publication-title: JAMA Neurol
  doi: 10.1001/jamaneurol.2016.0800
– volume: 106
  start-page: 20435
  year: 2009
  end-page: 20439
  ident: CR73
  article-title: An adenosine nucleoside inhibitor of dengue virus
  publication-title: Proceedings of the National Academy of Sciences of the United States of America
  doi: 10.1073/pnas.0907010106
– volume: 30
  start-page: 2785
  year: 2009
  end-page: 2791
  ident: CR44
  article-title: AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
  publication-title: Journal of Computational Chemistry
  doi: 10.1002/jcc.21256
– volume: 234
  start-page: 34
  year: 2017
  end-page: 43
  ident: CR64
  article-title: A structural view of the RNA-dependent RNA polymerases from the Flavivirus genus
  publication-title: Virus Res
  doi: 10.1016/j.virusres.2017.01.020
– volume: 7
  year: 2006
  ident: CR28
  article-title: Tools for integrated sequence-structure analysis with UCSF Chimera
  publication-title: BMC Bioinformatics
  doi: 10.1186/1471-2105-7-339
– volume: 85
  start-page: 56
  year: 2016
  end-page: 64
  ident: CR10
  article-title: Zika virus epidemic in Brazil. I. Fatal disease in adults: Clinical and laboratorial aspects
  publication-title: Journal of clinical virology: the official publication of the Pan American Society for Clinical Virology
  doi: 10.1016/j.jcv.2016.10.024
– volume: 97
  start-page: 10269
  year: 1993
  end-page: 10280
  ident: CR46
  article-title: A Well-Behaved Electrostatic Potential Based Method Using Charge Restraints For Deriving Atomic Charges - The Resp Model
  publication-title: Journal of Physical Chemistry
  doi: 10.1021/j100142a004
– volume: 31
  start-page: 455
  year: 2010
  end-page: 461
  ident: CR55
  article-title: Software News and Update AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading
  publication-title: Journal of Computational Chemistry
  doi: 10.1002/jcc.21334
– ident: CR52
– volume: 82
  start-page: 284
  year: 1985
  end-page: 298
  ident: CR39
  article-title: Abinitio Effective Core Potentials for Molecular Calculations - Potentials for Main Group Elements Na to Bi
  publication-title: Journal of Chemical Physics
  doi: 10.1063/1.448800
– ident: CR34
– volume: 8
  year: 2017
  ident: CR24
  article-title: Structure and function of the Zika virus full-length NS5 protein
  publication-title: Nature communications
  doi: 10.1038/ncomms14762
– volume: 15
  start-page: 1085
  year: 2014
  end-page: 1092
  ident: CR41
  article-title: The crystal structure of the phosphatidylinositol 4‐kinase IIα
  publication-title: EMBO reports
  doi: 10.15252/embr.201438841
– volume: 214
  start-page: 707
  year: 2016
  end-page: 711
  ident: CR19
  article-title: Nucleoside Inhibitors of Zika Virus
  publication-title: The Journal of infectious diseases
  doi: 10.1093/infdis/jiw226
– volume: 137
  start-page: 131
  year: 2017
  end-page: 133
  ident: CR20
  article-title: Adenosine triphosphate analogs can efficiently inhibit the Zika virus RNA-dependent RNA polymerase
  publication-title: Antiviral research
  doi: 10.1016/j.antiviral.2016.11.020
– volume: 162
  start-page: 2091
  year: 2017
  end-page: 2096
  ident: CR21
  article-title: Structural basis of Zika virus methyltransferase inhibition by sinefungin
  publication-title: Archives of virology
  doi: 10.1007/s00705-017-3345-x
– ident: CR62
– volume: 58
  start-page: 3767
  year: 2015
  end-page: 3793
  ident: CR57
  article-title: Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action
  publication-title: Journal of Medicinal Chemistry
  doi: 10.1021/acs.jmedchem.5b00499
– volume: 40
  start-page: 233
  year: 1978
  ident: 29459_CR65
  publication-title: Journal of General Virology
  doi: 10.1099/0022-1317-40-1-233
– volume: 15
  start-page: 1085
  year: 2014
  ident: 29459_CR41
  publication-title: EMBO reports
  doi: 10.15252/embr.201438841
– volume: 97
  start-page: 10269
  year: 1993
  ident: 29459_CR46
  publication-title: Journal of Physical Chemistry
  doi: 10.1021/j100142a004
– volume: 120
  start-page: 13017
  year: 2016
  ident: 29459_CR61
  publication-title: The journal of physical chemistry. B
  doi: 10.1021/acs.jpcb.6b08581
– volume: 387
  start-page: 335
  year: 2016
  ident: 29459_CR11
  publication-title: Lancet
  doi: 10.1016/S0140-6736(16)00080-5
– volume: 74
  start-page: 851
  year: 2000
  ident: 29459_CR60
  publication-title: Journal of virology
  doi: 10.1128/JVI.74.2.851-863.2000
– volume: 60
  start-page: 100
  year: 2017
  ident: 29459_CR56
  publication-title: Journal of Medicinal Chemistry
  doi: 10.1021/acs.jmedchem.6b01465
– volume: 37
  start-page: 7321
  year: 2009
  ident: 29459_CR59
  publication-title: Nucleic Acids Res
  doi: 10.1093/nar/gkp783
– volume: 82
  start-page: 284
  year: 1985
  ident: 29459_CR39
  publication-title: Journal of Chemical Physics
  doi: 10.1063/1.448800
– volume: 98
  start-page: 5648
  year: 1993
  ident: 29459_CR47
  publication-title: Journal of Chemical Physics
  doi: 10.1063/1.464913
– volume: 138
  start-page: 14592
  year: 2016
  ident: 29459_CR37
  publication-title: Journal of the American Chemical Society
  doi: 10.1021/jacs.6b05475
– volume: 73
  start-page: 116
  year: 2017
  ident: 29459_CR15
  publication-title: Acta Crystallogr F Struct Biol Commun
  doi: 10.1107/S2053230X17001601
– ident: 29459_CR62
  doi: 10.1093/ofid/ofw175
– ident: 29459_CR51
– ident: 29459_CR32
– volume: 22
  start-page: 5
  year: 2006
  ident: 29459_CR66
  publication-title: Molecular Cell
  doi: 10.1016/j.molcel.2006.03.013
– volume: 234
  start-page: 34
  year: 2017
  ident: 29459_CR64
  publication-title: Virus Res
  doi: 10.1016/j.virusres.2017.01.020
– volume: 426
  start-page: 1407
  year: 2014
  ident: 29459_CR67
  publication-title: Journal of Molecular Biology
  doi: 10.1016/j.jmb.2013.12.031
– volume: 214
  start-page: 707
  year: 2016
  ident: 29459_CR19
  publication-title: The Journal of infectious diseases
  doi: 10.1093/infdis/jiw226
– volume: 77
  start-page: 45
  year: 2017
  ident: 29459_CR6
  publication-title: Eur Neurol
  doi: 10.1159/000453396
– volume: 162
  start-page: 2091
  year: 2017
  ident: 29459_CR21
  publication-title: Archives of virology
  doi: 10.1007/s00705-017-3345-x
– volume: 82
  start-page: 518
  year: 2015
  ident: 29459_CR43
  publication-title: Molecular reproduction and development
  doi: 10.1002/mrd.22489
– volume: 58
  start-page: 3767
  year: 2015
  ident: 29459_CR57
  publication-title: Journal of Medicinal Chemistry
  doi: 10.1021/acs.jmedchem.5b00499
– volume: 77
  start-page: 3865
  year: 1996
  ident: 29459_CR38
  publication-title: Physical review letters
  doi: 10.1103/PhysRevLett.77.3865
– volume: 85
  start-page: 56
  year: 2016
  ident: 29459_CR10
  publication-title: Journal of clinical virology: the official publication of the Pan American Society for Clinical Virology
  doi: 10.1016/j.jcv.2016.10.024
– volume: 25
  start-page: 1605
  year: 2004
  ident: 29459_CR29
  publication-title: Journal of computational chemistry
  doi: 10.1002/jcc.20084
– volume: 80
  start-page: 23
  year: 2008
  ident: 29459_CR18
  publication-title: Antiviral research
  doi: 10.1016/j.antiviral.2008.06.007
– volume: 137
  start-page: 131
  year: 2017
  ident: 29459_CR20
  publication-title: Antiviral research
  doi: 10.1016/j.antiviral.2016.11.020
– volume: 7
  year: 2017
  ident: 29459_CR72
  publication-title: Scientific reports
  doi: 10.1038/s41598-017-17621-6
– volume: 80
  start-page: 1
  year: 2008
  ident: 29459_CR16
  publication-title: Antiviral Research
  doi: 10.1016/j.antiviral.2008.05.003
– volume: 106
  start-page: 20435
  year: 2009
  ident: 29459_CR73
  publication-title: Proceedings of the National Academy of Sciences of the United States of America
  doi: 10.1073/pnas.0907010106
– volume: 46
  start-page: 509
  year: 1952
  ident: 29459_CR2
  publication-title: Transactions of the Royal Society of Tropical Medicine and Hygiene
  doi: 10.1016/0035-9203(52)90042-4
– ident: 29459_CR52
– volume: 374
  start-page: 1595
  year: 2016
  ident: 29459_CR9
  publication-title: The New England journal of medicine
  doi: 10.1056/NEJMc1602964
– ident: 29459_CR14
– volume: 7
  year: 2006
  ident: 29459_CR28
  publication-title: BMC Bioinformatics
  doi: 10.1186/1471-2105-7-339
– volume: 37
  start-page: 785
  year: 1988
  ident: 29459_CR48
  publication-title: Physical Review B
  doi: 10.1103/PhysRevB.37.785
– year: 2016
  ident: 29459_CR22
  publication-title: Biochemical and biophysical research communications
  doi: 10.1016/j.bbrc.2016.11.098
– ident: 29459_CR34
– volume: 67
  start-page: 593
  year: 2007
  ident: 29459_CR74
  publication-title: Proteins-Structure Function and Bioinformatics
  doi: 10.1002/prot.21249
– volume: 390
  start-page: 10
  year: 2009
  ident: 29459_CR30
  publication-title: Journal of molecular biology
  doi: 10.1016/j.jmb.2009.04.069
– volume: 141
  start-page: 799
  year: 2010
  ident: 29459_CR71
  publication-title: Cell
  doi: 10.1016/j.cell.2010.03.050
– volume: 59
  start-page: 23
  year: 2003
  ident: 29459_CR12
  publication-title: Advances in virus research
  doi: 10.1016/S0065-3527(03)59002-9
– volume: 52
  start-page: 7934
  year: 2009
  ident: 29459_CR25
  publication-title: Journal of Medicinal Chemistry
  doi: 10.1021/jm901044z
– volume: 79
  start-page: 926
  year: 1983
  ident: 29459_CR33
  publication-title: Journal of Chemical Physics
  doi: 10.1063/1.445869
– volume: 8
  year: 2017
  ident: 29459_CR24
  publication-title: Nature communications
  doi: 10.1038/ncomms14762
– volume: 16
  start-page: 12943
  year: 2015
  ident: 29459_CR68
  publication-title: International Journal of Molecular Sciences
  doi: 10.3390/ijms160612943
– volume: 118
  start-page: 11225
  year: 1996
  ident: 29459_CR35
  publication-title: Journal of the American Chemical Society
  doi: 10.1021/ja9621760
– volume: 66
  start-page: 333
  year: 1984
  ident: 29459_CR40
  publication-title: Theor Chim Acta
  doi: 10.1007/BF00554788
– volume: 105
  start-page: 2999
  year: 2005
  ident: 29459_CR54
  publication-title: Chemical Reviews
  doi: 10.1021/cr9904009
– volume: 73
  start-page: 875
  year: 2016
  ident: 29459_CR4
  publication-title: JAMA Neurol
  doi: 10.1001/jamaneurol.2016.0800
– volume: 81
  start-page: 4753
  year: 2007
  ident: 29459_CR26
  publication-title: J Virol
  doi: 10.1128/JVI.02283-06
– volume: 31
  start-page: 455
  year: 2010
  ident: 29459_CR55
  publication-title: Journal of Computational Chemistry
  doi: 10.1002/jcc.21334
– volume: 8
  year: 2017
  ident: 29459_CR23
  publication-title: Nature communications
  doi: 10.1038/ncomms14764
– volume: 28
  start-page: 213
  year: 1973
  ident: 29459_CR50
  publication-title: Theoretica Chimica Acta
  doi: 10.1007/BF00533485
– volume: 109
  start-page: 1901
  year: 2012
  ident: 29459_CR70
  publication-title: Proceedings of the National Academy of Sciences of the United States of America
  doi: 10.1073/pnas.1117597109
– volume: 113
  start-page: 2110
  year: 2013
  ident: 29459_CR45
  publication-title: Int J Quantum Chem
  doi: 10.1002/qua.24481
– ident: 29459_CR53
  doi: 10.1063/1.3382344
– volume: 105
  start-page: 8
  year: 2014
  ident: 29459_CR17
  publication-title: Antiviral research
  doi: 10.1016/j.antiviral.2014.02.006
– volume: 130
  start-page: 46
  year: 2016
  ident: 29459_CR63
  publication-title: Antiviral Research
  doi: 10.1016/j.antiviral.2016.03.013
– volume: 354
  start-page: 1597
  year: 2016
  ident: 29459_CR13
  publication-title: Science
  doi: 10.1126/science.aai9309
– volume: 347
  start-page: 771
  year: 2015
  ident: 29459_CR27
  publication-title: Science
  doi: 10.1126/science.1259210
– ident: 29459_CR42
  doi: 10.1038/srep23641
– ident: 29459_CR49
  doi: 10.1063/1.1677527
– volume: 387
  start-page: 1486
  year: 2016
  ident: 29459_CR5
  publication-title: Lancet
  doi: 10.1016/S0140-6736(16)00564-X
– volume: 53
  start-page: 6695
  year: 2014
  ident: 29459_CR36
  publication-title: Biochemistry
  doi: 10.1021/bi500814t
– volume: 371
  start-page: 500
  year: 2008
  ident: 29459_CR1
  publication-title: Lancet
  doi: 10.1016/S0140-6736(08)60238-X
– volume: 83
  start-page: 63
  year: 2016
  ident: 29459_CR7
  publication-title: Journal of clinical virology: the official publication of the Pan American Society for Clinical Virology
  doi: 10.1016/j.jcv.2016.08.297
– volume: 143
  start-page: 875
  year: 2010
  ident: 29459_CR69
  publication-title: Cell
  doi: 10.1016/j.cell.2010.11.030
– volume: 16
  start-page: e119
  year: 2016
  ident: 29459_CR3
  publication-title: The Lancet. Infectious diseases
  doi: 10.1016/S1473-3099(16)30010-X
– volume: 30
  start-page: 2785
  year: 2009
  ident: 29459_CR44
  publication-title: Journal of Computational Chemistry
  doi: 10.1002/jcc.21256
– volume: 387
  start-page: 1481
  year: 2016
  ident: 29459_CR8
  publication-title: Lancet
  doi: 10.1016/S0140-6736(16)00644-9
– volume: 61
  start-page: 704
  year: 2005
  ident: 29459_CR31
  publication-title: Proteins-Structure Function and Bioinformatics
  doi: 10.1002/prot.20660
– volume: 179
  start-page: 269
  year: 2012
  ident: 29459_CR58
  publication-title: Journal of structural biology
  doi: 10.1016/j.jsb.2011.09.006
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Snippet Zika virus is a global health threat due to significantly elevated risk of fetus malformations in infected pregnant women. Currently, neither an effective...
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StartPage 11132
SubjectTerms 119/118
631/114/2397
631/326/596
Adenosine - analogs & derivatives
Adenosine - chemistry
Adenosine - pharmacology
Antiviral agents
DNA-directed RNA polymerase
Fetuses
Global health
Health risks
Humanities and Social Sciences
Humans
Magnesium
Magnesium - chemistry
Models, Molecular
Molecular Docking Simulation
multidisciplinary
Nucleoside analogs
Nucleosides - chemistry
Nucleotide analogs
Nucleotides - chemistry
Polyphosphates - chemistry
Protein Conformation - drug effects
RNA - chemistry
RNA - genetics
RNA polymerase
RNA Replicase - chemistry
RNA Replicase - genetics
RNA viruses
RNA-directed RNA polymerase
Science
Science (multidisciplinary)
Vaccination
Vector-borne diseases
Viral Nonstructural Proteins - chemistry
Viral Nonstructural Proteins - genetics
Virus Replication - genetics
Zika virus
Zika Virus - chemistry
Zika Virus - genetics
Zika Virus - pathogenicity
Zika Virus Infection - genetics
Zika Virus Infection - virology
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Title The structural model of Zika virus RNA-dependent RNA polymerase in complex with RNA for rational design of novel nucleotide inhibitors
URI https://link.springer.com/article/10.1038/s41598-018-29459-7
https://www.ncbi.nlm.nih.gov/pubmed/30042483
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Volume 8
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