Structure-Based Stabilization of Non-native Protein–Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design
Identifieur interne : 000072 ( Main/Exploration ); précédent : 000071; suivant : 000073Structure-Based Stabilization of Non-native Protein–Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design
Auteurs : Shan-Meng Lin [Taïwan] ; Shih-Chao Lin [États-Unis] ; Jia-Ning Hsu [Taïwan] ; Chung-Ke Chang [Taïwan] ; Ching-Ming Chien [Taïwan] ; Yong-Sheng Wang [Taïwan] ; Hung-Yi Wu [Taïwan] ; U-Ser Jeng [Taïwan] ; Kylene Kehn-Hall [États-Unis] ; Ming-Hon Hou [Taïwan]Source :
- Journal of Medicinal Chemistry [ 0022-2623 ] ; 2020.
Abstract
Structure-based stabilization of protein–protein interactions (PPIs) is a promising strategy for drug discovery. However, this approach has mainly focused on the stabilization of native PPIs, and non-native PPIs have received little consideration. Here, we identified a non-native interaction interface on the three-dimensional dimeric structure of the N-terminal domain of the MERS-CoV nucleocapsid protein (MERS-CoV N-NTD). The interface formed a conserved hydrophobic cavity suitable for targeted drug screening. By considering the hydrophobic complementarity during the virtual screening step, we identified 5-benzyloxygramine as a new N protein PPI orthosteric stabilizer that exhibits both antiviral and N-NTD protein-stabilizing activities. X-ray crystallography and small-angle X-ray scattering showed that 5-benzyloxygramine stabilizes the N-NTD dimers through simultaneous hydrophobic interactions with both partners, resulting in abnormal N protein oligomerization that was further confirmed in the cell. This unique approach based on the identification and stabilization of non-native PPIs of N protein could be applied toward drug discovery against CoV diseases.
Url:
DOI: 10.1021/acs.jmedchem.9b01913
PubMed: 32105468
PubMed Central: 7094172
Affiliations:
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type="main">Structure-Based
Stabilization of Non-native Protein–Protein
Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug
Design</title><author><name sortKey="Lin, Shan Meng" sort="Lin, Shan Meng" uniqKey="Lin S" first="Shan-Meng" last="Lin">Shan-Meng Lin</name><affiliation wicri:level="1"><nlm:aff id="aff1">Institute of Genomics and Bioinformatics,<institution>National Chung Hsing University</institution>, Taichung 402,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="aff2">Department of Life Sciences,<institution>National Chung Hsing University</institution>, Taichung 402,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Lin, Shih Chao" sort="Lin, Shih Chao" uniqKey="Lin S" first="Shih-Chao" last="Lin">Shih-Chao Lin</name><affiliation wicri:level="1"><nlm:aff id="aff3">National Center for Biodefense and Infectious Diseases, School of Systems Biology,<institution>George Mason University</institution>, Manassas, Virginia 20110,<country>United States</country></nlm:aff><country xml:lang="fr">États-Unis</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Hsu, Jia Ning" sort="Hsu, Jia Ning" uniqKey="Hsu J" first="Jia-Ning" last="Hsu">Jia-Ning Hsu</name><affiliation wicri:level="1"><nlm:aff id="aff1">Institute of Genomics and Bioinformatics,<institution>National Chung Hsing University</institution>, Taichung 402,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="aff2">Department of Life Sciences,<institution>National Chung Hsing University</institution>, Taichung 402,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Chang, Chung Ke" sort="Chang, Chung Ke" uniqKey="Chang C" first="Chung-Ke" last="Chang">Chung-Ke Chang</name><affiliation wicri:level="1"><nlm:aff id="aff5"><institution>Institute of Biomedical Sciences, Academia Sinica</institution>, Taipei 115,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Chien, Ching Ming" sort="Chien, Ching Ming" uniqKey="Chien C" first="Ching-Ming" last="Chien">Ching-Ming Chien</name><affiliation wicri:level="1"><nlm:aff id="aff1">Institute of Genomics and Bioinformatics,<institution>National Chung Hsing University</institution>, Taichung 402,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="aff2">Department of Life Sciences,<institution>National Chung Hsing University</institution>, Taichung 402,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Wang, Yong Sheng" sort="Wang, Yong Sheng" uniqKey="Wang Y" first="Yong-Sheng" last="Wang">Yong-Sheng Wang</name><affiliation wicri:level="1"><nlm:aff id="aff1">Institute of Genomics and Bioinformatics,<institution>National Chung Hsing University</institution>, Taichung 402,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Wu, Hung Yi" sort="Wu, Hung Yi" uniqKey="Wu H" first="Hung-Yi" last="Wu">Hung-Yi Wu</name><affiliation wicri:level="1"><nlm:aff id="aff4">Graduate Institute of Veterinary Pathobiology, College of Veterinary Medicine,<institution>National Chung Hsing University</institution>, Taichung 40227,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Jeng, U Ser" sort="Jeng, U Ser" uniqKey="Jeng U" first="U-Ser" last="Jeng">U-Ser Jeng</name><affiliation wicri:level="1"><nlm:aff id="aff6"><institution>National Synchrotron Radiation Research Center</institution>, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="aff7">Department of Chemical Engineering,<institution>National Tsing Hua University</institution>, Hsinchu 30013,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Kehn Hall, Kylene" sort="Kehn Hall, Kylene" uniqKey="Kehn Hall K" first="Kylene" last="Kehn-Hall">Kylene Kehn-Hall</name><affiliation wicri:level="1"><nlm:aff id="aff3">National Center for Biodefense and Infectious Diseases, School of Systems Biology,<institution>George Mason University</institution>, Manassas, Virginia 20110,<country>United States</country></nlm:aff><country xml:lang="fr">États-Unis</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Hou, Ming Hon" sort="Hou, Ming Hon" uniqKey="Hou M" first="Ming-Hon" last="Hou">Ming-Hon Hou</name><affiliation wicri:level="1"><nlm:aff id="aff1">Institute of Genomics and Bioinformatics,<institution>National Chung Hsing University</institution>, Taichung 402,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="aff2">Department of Life Sciences,<institution>National Chung Hsing University</institution>, Taichung 402,<country>Taiwan</country></nlm:aff><country xml:lang="fr">Taïwan</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></analytic><series><title level="j">Journal of Medicinal Chemistry</title><idno type="ISSN">0022-2623</idno><idno type="eISSN">1520-4804</idno><imprint><date when="2020">2020</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p content-type="toc-graphic"><graphic xlink:href="jm9b01913_0005" id="ab-tgr1"></graphic></p><p>Structure-based
stabilization of protein–protein interactions
(PPIs) is a promising strategy for drug discovery. However, this approach
has mainly focused on the stabilization of native PPIs, and non-native
PPIs have received little consideration. Here, we identified a non-native
interaction interface on the three-dimensional dimeric structure of
the N-terminal domain of the MERS-CoV nucleocapsid protein (MERS-CoV
N-NTD). The interface formed a conserved hydrophobic cavity suitable
for targeted drug screening. By considering the hydrophobic
complementarity during the virtual screening step, we identified 5-benzyloxygramine
as a new N protein PPI orthosteric stabilizer that exhibits both antiviral
and N-NTD protein-stabilizing activities. X-ray crystallography and
small-angle
X-ray scattering showed that 5-benzyloxygramine stabilizes the N-NTD
dimers through simultaneous hydrophobic interactions with both partners,
resulting in abnormal N protein oligomerization that was further confirmed
in the cell. This unique approach based on the identification and
stabilization of non-native PPIs of N protein could be applied toward
drug discovery against CoV diseases.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct><analytic><author><name sortKey="Bosch, J" uniqKey="Bosch J">J. Bosch</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Sijbesma, E" uniqKey="Sijbesma E">E. Sijbesma</name></author><author><name sortKey="Hallenbeck, K K" uniqKey="Hallenbeck K">K. K. Hallenbeck</name></author><author><name sortKey="Leysen, S" uniqKey="Leysen S">S. Leysen</name></author><author><name sortKey="De Vink, P J" uniqKey="De Vink P">P. J. de Vink</name></author><author><name sortKey="Sk Ra, L" uniqKey="Sk Ra L">L. Skóra</name></author><author><name sortKey="Jahnke, W" uniqKey="Jahnke W">W. Jahnke</name></author><author><name sortKey="Brunsveld, L" uniqKey="Brunsveld L">L. Brunsveld</name></author><author><name sortKey="Arkin, M R" uniqKey="Arkin M">M. R. Arkin</name></author><author><name sortKey="Ottmann, C" uniqKey="Ottmann C">C. 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Oshitani</name></author></analytic></biblStruct></listBibl></div1></back></TEI><affiliations><list><country><li>Taïwan</li><li>États-Unis</li></country></list><tree><country name="Taïwan"><noRegion><name sortKey="Lin, Shan Meng" sort="Lin, Shan Meng" uniqKey="Lin S" first="Shan-Meng" last="Lin">Shan-Meng Lin</name></noRegion><name sortKey="Chang, Chung Ke" sort="Chang, Chung Ke" uniqKey="Chang C" first="Chung-Ke" last="Chang">Chung-Ke Chang</name><name sortKey="Chien, Ching Ming" sort="Chien, Ching Ming" uniqKey="Chien C" first="Ching-Ming" last="Chien">Ching-Ming Chien</name><name sortKey="Chien, Ching Ming" sort="Chien, Ching Ming" uniqKey="Chien C" first="Ching-Ming" last="Chien">Ching-Ming Chien</name><name sortKey="Hou, Ming Hon" sort="Hou, Ming Hon" uniqKey="Hou M" first="Ming-Hon" last="Hou">Ming-Hon Hou</name><name sortKey="Hou, Ming Hon" sort="Hou, Ming Hon" uniqKey="Hou M" first="Ming-Hon" last="Hou">Ming-Hon Hou</name><name sortKey="Hsu, Jia Ning" sort="Hsu, Jia Ning" uniqKey="Hsu J" first="Jia-Ning" last="Hsu">Jia-Ning Hsu</name><name sortKey="Hsu, Jia Ning" sort="Hsu, Jia Ning" uniqKey="Hsu J" first="Jia-Ning" last="Hsu">Jia-Ning Hsu</name><name sortKey="Jeng, U Ser" sort="Jeng, U Ser" uniqKey="Jeng U" first="U-Ser" last="Jeng">U-Ser Jeng</name><name sortKey="Jeng, U Ser" sort="Jeng, U Ser" uniqKey="Jeng U" first="U-Ser" last="Jeng">U-Ser Jeng</name><name sortKey="Lin, Shan Meng" sort="Lin, Shan Meng" uniqKey="Lin S" first="Shan-Meng" last="Lin">Shan-Meng Lin</name><name sortKey="Wang, Yong Sheng" sort="Wang, Yong Sheng" uniqKey="Wang Y" first="Yong-Sheng" last="Wang">Yong-Sheng Wang</name><name sortKey="Wu, Hung Yi" sort="Wu, Hung Yi" uniqKey="Wu H" first="Hung-Yi" last="Wu">Hung-Yi Wu</name></country><country name="États-Unis"><noRegion><name sortKey="Lin, Shih Chao" sort="Lin, Shih Chao" uniqKey="Lin S" first="Shih-Chao" last="Lin">Shih-Chao Lin</name></noRegion><name sortKey="Kehn Hall, Kylene" sort="Kehn Hall, Kylene" uniqKey="Kehn Hall K" first="Kylene" last="Kehn-Hall">Kylene Kehn-Hall</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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