Inhibition of SARS-CoV-2 main protease by allosteric drug-binding

Sebastian Günther; Patrick Y. A. Reinke; Yaiza Fernández-García; Julia Lieske; Thomas J. Lane; Helen M. Ginn; Faisal H. M. Koua; Christiane Ehrt; Wiebke Ewert; Dominik Oberthuer; Oleksandr Yefanov; Susanne Meier; Kristina Lorenzen; Boris Krichel; Janine-Denise Kopicki; Luca Gelisio; Wolfgang Brehm; Ilona Dunkel; Brandon Seychell; Henry Gieseler; Brenna Norton-Baker; Beatriz Escudero-Pérez; Martin Domaracky; Sofiane Saouane; Alexandra Tolstikova; Thomas A. White; Anna Hänle; Michael Groessler; Holger Fleckenstein; Fabian Trost; Marina Galchenkova; Yaroslav Gevorkov; Chufeng Li; Salah Awel; Ariana Peck; Miriam Barthelmess; Frank Schlünzen; P. Lourdu Xavier; Nadine Werner; Hina Andaleeb; Najeeb Ullah; Sven Falke; Vasundara Srinivasan; Bruno Alves Franca; Martin Schwinzer; Hévila Brognaro; Cromarte Rogers; Diogo Melo; Jo J. Zaitsev-Doyle; Juraj Knoska; Gisel E. Peña Murillo; Aida Rahmani Mashhour; Filip Guicking; Vincent Hennicke; Pontus Fischer; Johanna Hakanpää; Jan Meyer; Phil Gribbon; Bernhard Ellinger; Maria Kuzikov; Markus Wolf; Andrea R. Beccari; Gleb Bourenkov; David von Stetten; Guillaume Pompidor; Isabel Bento; Saravanan Panneerselvam; Ivars Karpics; Thomas R. Schneider; Maria Marta Garcia Alai; Stephan Niebling; Christian Günther; Christina Schmidt; Robin Schubert; Huijong Han; Juliane Boger; Diana C. F. Monteiro; Linlin Zhang; Xinyuanyuan Sun; Jonathan Pletzer-Zelgert; Jan Wollenhaupt; Christian G. Feiler; Manfred S. Weiss; Eike-Christian Schulz; Pedram Mehrabi; Katarina Karničar; Aleksandra Usenik; Jure Loboda; Henning Tidow; Ashwin Chari; Rolf Hilgenfeld; Charlotte Uetrecht; Russell Cox; Andrea Zaliani; Tobias Beck; Matthias Rarey; Stephan Günther; Dusan Turk; Winfried Hinrichs; Henry N. Chapman; Arwen R. Pearson; Christian Betze; Alke Meents

doi:10.1101/2020.11.12.378422

Inhibition of SARS-CoV-2 main protease by allosteric drug-binding

Sebastian Günther, Patrick Y. A. Reinke, Yaiza Fernández-García, Julia Lieske, Thomas J. Lane, Helen M. Ginn, Faisal H. M. Koua, Christiane Ehrt, Wiebke Ewert, Dominik Oberthuer, Oleksandr Yefanov, Susanne Meier, Kristina Lorenzen, Boris Krichel, Janine-Denise Kopicki, Luca Gelisio, Wolfgang Brehm, Ilona Dunkel, Brandon Seychell, Henry GieselerBrenna Norton-Baker, Beatriz Escudero-Pérez, Martin Domaracky, Sofiane Saouane, Alexandra Tolstikova, Thomas A. White, Anna Hänle, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, Miriam Barthelmess, Frank Schlünzen, P. Lourdu Xavier, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Vasundara Srinivasan, Bruno Alves Franca, Martin Schwinzer, Hévila Brognaro, Cromarte Rogers, Diogo Melo, Jo J. Zaitsev-Doyle, Juraj Knoska, Gisel E. Peña Murillo, Aida Rahmani Mashhour, Filip Guicking, Vincent Hennicke, Pontus Fischer, Johanna Hakanpää, Jan Meyer, Phil Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Andrea R. Beccari, Gleb Bourenkov, David von Stetten, Guillaume Pompidor, Isabel Bento, Saravanan Panneerselvam, Ivars Karpics, Thomas R. Schneider, Maria Marta Garcia Alai, Stephan Niebling, Christian Günther, Christina Schmidt, Robin Schubert, Huijong Han, Juliane Boger, Diana C. F. Monteiro, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian G. Feiler, Manfred S. Weiss, Eike-Christian Schulz, Pedram Mehrabi, Katarina Karničar, Aleksandra Usenik, Jure Loboda, Henning Tidow, Ashwin Chari, Rolf Hilgenfeld, Charlotte Uetrecht, Russell Cox, Andrea Zaliani, Tobias Beck, Matthias Rarey, Stephan Günther, Dusan Turk, Winfried Hinrichs, Henry N. Chapman, Arwen R. Pearson, Christian Betze, Alke Meents

Originalsprache	Englisch
Zeitschrift	bioRxiv
ISSN	2692-8205
DOIs	https://doi.org/10.1101/2020.11.12.378422
Publikationsstatus	Veröffentlicht - 01.11.2020

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10.1101/2020.11.12.378422

https://doi.org/10.1101%2F2020.11.12.378422

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Günther, S., Reinke, P. Y. A., Fernández-García, Y., Lieske, J., Lane, T. J., Ginn, H. M., Koua, F. H. M., Ehrt, C., Ewert, W., Oberthuer, D., Yefanov, O., Meier, S., Lorenzen, K., Krichel, B., Kopicki, J.-D., Gelisio, L., Brehm, W., Dunkel, I., Seychell, B., ... Meents, A. (2020). Inhibition of SARS-CoV-2 main protease by allosteric drug-binding. bioRxiv. https://doi.org/10.1101/2020.11.12.378422

@article{853380f66f2e46d0a4471c94569f50e6,

title = "Inhibition of SARS-CoV-2 main protease by allosteric drug-binding",

author = "Sebastian G{\"u}nther and Reinke, \{Patrick Y. A.\} and Yaiza Fern{\'a}ndez-Garc{\'i}a and Julia Lieske and Lane, \{Thomas J.\} and Ginn, \{Helen M.\} and Koua, \{Faisal H. M.\} and Christiane Ehrt and Wiebke Ewert and Dominik Oberthuer and Oleksandr Yefanov and Susanne Meier and Kristina Lorenzen and Boris Krichel and Janine-Denise Kopicki and Luca Gelisio and Wolfgang Brehm and Ilona Dunkel and Brandon Seychell and Henry Gieseler and Brenna Norton-Baker and Beatriz Escudero-P{\'e}rez and Martin Domaracky and Sofiane Saouane and Alexandra Tolstikova and White, \{Thomas A.\} and Anna H{\"a}nle and Michael Groessler and Holger Fleckenstein and Fabian Trost and Marina Galchenkova and Yaroslav Gevorkov and Chufeng Li and Salah Awel and Ariana Peck and Miriam Barthelmess and Frank Schl{\"u}nzen and Xavier, \{P. Lourdu\} and Nadine Werner and Hina Andaleeb and Najeeb Ullah and Sven Falke and Vasundara Srinivasan and Franca, \{Bruno Alves\} and Martin Schwinzer and H{\'e}vila Brognaro and Cromarte Rogers and Diogo Melo and Zaitsev-Doyle, \{Jo J.\} and Juraj Knoska and Murillo, \{Gisel E. Pe{\~n}a\} and Mashhour, \{Aida Rahmani\} and Filip Guicking and Vincent Hennicke and Pontus Fischer and Johanna Hakanp{\"a}{\"a} and Jan Meyer and Phil Gribbon and Bernhard Ellinger and Maria Kuzikov and Markus Wolf and Beccari, \{Andrea R.\} and Gleb Bourenkov and Stetten, \{David von\} and Guillaume Pompidor and Isabel Bento and Saravanan Panneerselvam and Ivars Karpics and Schneider, \{Thomas R.\} and Alai, \{Maria Marta Garcia\} and Stephan Niebling and Christian G{\"u}nther and Christina Schmidt and Robin Schubert and Huijong Han and Juliane Boger and Monteiro, \{Diana C. F.\} and Linlin Zhang and Xinyuanyuan Sun and Jonathan Pletzer-Zelgert and Jan Wollenhaupt and Feiler, \{Christian G.\} and Weiss, \{Manfred S.\} and Eike-Christian Schulz and Pedram Mehrabi and Katarina Karni{\v c}ar and Aleksandra Usenik and Jure Loboda and Henning Tidow and Ashwin Chari and Rolf Hilgenfeld and Charlotte Uetrecht and Russell Cox and Andrea Zaliani and Tobias Beck and Matthias Rarey and Stephan G{\"u}nther and Dusan Turk and Winfried Hinrichs and Chapman, \{Henry N.\} and Pearson, \{Arwen R.\} and Christian Betze and Alke Meents",

year = "2020",

month = nov,

day = "1",

doi = "10.1101/2020.11.12.378422",

language = "English",

journal = "bioRxiv",

issn = "2692-8205",

publisher = "Cold Spring Harbor Laboratory",

}

Günther, S, Reinke, PYA, Fernández-García, Y, Lieske, J, Lane, TJ, Ginn, HM, Koua, FHM, Ehrt, C, Ewert, W, Oberthuer, D, Yefanov, O, Meier, S, Lorenzen, K, Krichel, B, Kopicki, J-D, Gelisio, L, Brehm, W, Dunkel, I, Seychell, B, Gieseler, H, Norton-Baker, B, Escudero-Pérez, B, Domaracky, M, Saouane, S, Tolstikova, A, White, TA, Hänle, A, Groessler, M, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Peck, A, Barthelmess, M, Schlünzen, F, Xavier, PL, Werner, N, Andaleeb, H, Ullah, N, Falke, S, Srinivasan, V, Franca, BA, Schwinzer, M, Brognaro, H, Rogers, C, Melo, D, Zaitsev-Doyle, JJ, Knoska, J, Murillo, GEP, Mashhour, AR, Guicking, F, Hennicke, V, Fischer, P, Hakanpää, J, Meyer, J, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Beccari, AR, Bourenkov, G, Stetten, DV, Pompidor, G, Bento, I, Panneerselvam, S, Karpics, I, Schneider, TR, Alai, MMG, Niebling, S, Günther, C, Schmidt, C, Schubert, R, Han, H, Boger, J, Monteiro, DCF, Zhang, L, Sun, X, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, CG, Weiss, MS, Schulz, E-C, Mehrabi, P, Karničar, K, Usenik, A, Loboda, J, Tidow, H, Chari, A, Hilgenfeld, R , Uetrecht, C, Cox, R, Zaliani, A, Beck, T, Rarey, M, Günther, S, Turk, D, Hinrichs, W, Chapman, HN, Pearson, AR, Betze, C & Meents, A 2020, 'Inhibition of SARS-CoV-2 main protease by allosteric drug-binding', bioRxiv. https://doi.org/10.1101/2020.11.12.378422

TY - JOUR

T1 - Inhibition of SARS-CoV-2 main protease by allosteric drug-binding

AU - Günther, Sebastian

AU - Reinke, Patrick Y. A.

AU - Fernández-García, Yaiza

AU - Lieske, Julia

AU - Lane, Thomas J.

AU - Ginn, Helen M.

AU - Koua, Faisal H. M.

AU - Ehrt, Christiane

AU - Ewert, Wiebke

AU - Oberthuer, Dominik

AU - Yefanov, Oleksandr

AU - Meier, Susanne

AU - Lorenzen, Kristina

AU - Krichel, Boris

AU - Kopicki, Janine-Denise

AU - Gelisio, Luca

AU - Brehm, Wolfgang

AU - Dunkel, Ilona

AU - Seychell, Brandon

AU - Gieseler, Henry

AU - Norton-Baker, Brenna

AU - Escudero-Pérez, Beatriz

AU - Domaracky, Martin

AU - Saouane, Sofiane

AU - Tolstikova, Alexandra

AU - White, Thomas A.

AU - Hänle, Anna

AU - Groessler, Michael

AU - Fleckenstein, Holger

AU - Trost, Fabian

AU - Galchenkova, Marina

AU - Gevorkov, Yaroslav

AU - Li, Chufeng

AU - Awel, Salah

AU - Peck, Ariana

AU - Barthelmess, Miriam

AU - Schlünzen, Frank

AU - Xavier, P. Lourdu

AU - Werner, Nadine

AU - Andaleeb, Hina

AU - Ullah, Najeeb

AU - Falke, Sven

AU - Srinivasan, Vasundara

AU - Franca, Bruno Alves

AU - Schwinzer, Martin

AU - Brognaro, Hévila

AU - Rogers, Cromarte

AU - Melo, Diogo

AU - Zaitsev-Doyle, Jo J.

AU - Knoska, Juraj

AU - Murillo, Gisel E. Peña

AU - Mashhour, Aida Rahmani

AU - Guicking, Filip

AU - Hennicke, Vincent

AU - Fischer, Pontus

AU - Hakanpää, Johanna

AU - Meyer, Jan

AU - Gribbon, Phil

AU - Ellinger, Bernhard

AU - Kuzikov, Maria

AU - Wolf, Markus

AU - Beccari, Andrea R.

AU - Bourenkov, Gleb

AU - Stetten, David von

AU - Pompidor, Guillaume

AU - Bento, Isabel

AU - Panneerselvam, Saravanan

AU - Karpics, Ivars

AU - Schneider, Thomas R.

AU - Alai, Maria Marta Garcia

AU - Niebling, Stephan

AU - Günther, Christian

AU - Schmidt, Christina

AU - Schubert, Robin

AU - Han, Huijong

AU - Boger, Juliane

AU - Monteiro, Diana C. F.

AU - Zhang, Linlin

AU - Sun, Xinyuanyuan

AU - Pletzer-Zelgert, Jonathan

AU - Wollenhaupt, Jan

AU - Feiler, Christian G.

AU - Weiss, Manfred S.

AU - Schulz, Eike-Christian

AU - Mehrabi, Pedram

AU - Karničar, Katarina

AU - Usenik, Aleksandra

AU - Loboda, Jure

AU - Tidow, Henning

AU - Chari, Ashwin

AU - Hilgenfeld, Rolf

AU - Uetrecht, Charlotte

AU - Cox, Russell

AU - Zaliani, Andrea

AU - Beck, Tobias

AU - Rarey, Matthias

AU - Günther, Stephan

AU - Turk, Dusan

AU - Hinrichs, Winfried

AU - Chapman, Henry N.

AU - Pearson, Arwen R.

AU - Betze, Christian

AU - Meents, Alke

PY - 2020/11/1

Y1 - 2020/11/1

U2 - 10.1101/2020.11.12.378422

DO - 10.1101/2020.11.12.378422

M3 - Journal articles

SN - 2692-8205

JO - bioRxiv

JF - bioRxiv

ER -