Structure, Mechanism and Crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase

Autor: Opher Gileadi, T.J. Gorrie-Stone, Setayesh Yadzani, Yuliana Yosaatmadja, Louise Dunnett, Matthieu Schapira, José Brandão-Neto, Antony Aimon, Frank von Delft, Alice Douangamath, J.A. Newman, R. Skyner, D. Fearon

Publikováno v: Nature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
Nature Communications

There is currently a lack of effective drugs to treat people infected with SARS-CoV-2, the cause of the global COVID-19 pandemic. The SARS-CoV-2 Non-structural protein 13 (NSP13) has been identified as a target for anti-virals due to its high sequenc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d366182cdbc5a7dfd5028861d6f26423
https://doi.org/10.1101/2021.03.15.435326

Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors

Autor: von Delft F, Ronen Gabizon, Wild Cf, Anastassia L. Kantsadi, Peter W. Kenny, Koekemoer L, Matteo P. Ferla, Noam Erez, Sharon Melamed, Adam Smalley, Gijs J. Overheul, Jag Paul Heer, Shaikh A, Tika R. Malla, R.S. Fernandes, Christopher J. Schofield, Moustakas D, Pai R, MacLean B, T. Krojer, Finny S. Varghese, Elad Bar-David, Hagit Achdout, Gregory R. Bowman, Lefker Ba, Kovar B, Charlie Weatherall, Tennant R, Griffen Ej, Yfat Yahalom-Ronen, Louise Dunnett, Emma Cattermole, Bvnbs S, Chernyshenko E, Ripka Eg, Kim Donckers, Efrat Resnick, Nir Paran, J. L. Kiappes, Einat B. Vitner, Dotson Dl, Mark Daniel Calmiano, Juliane Brun, Victor L. Rangel, Matthew F. D. Hurley, Richard Foster, Garrett M. Morris, Vaschetto M, Austin Clyde, Shay Weiss, Pan J, Nir London, William McCorkindale, Dudgeon T, Martin A. Walsh, Borden B, Haim Barr, John Spencer, Zaidmann D, Alice Douangamath, Robinson Rp, Alexandre Dias, John D. Chodera, Morris A, Marian V. Gorichko, Oleg Fedorov, V.O. Gawriljuk, Petra Lukacik, Puni R, Pinjari J, Shafeev M, Dirk Jochmans, Assa Sittner, T.J. Gorrie-Stone, White Km, Amir Ben-Shmuel, Ioannis Vakonakis, Boaz Politi, Rambabu N. Reddi, Joseph E. Coffland, Itai Glinert, Matthew C. Robinson, Ferrins L, Tomasio S, Alpha A. Lee, Khriesto A. Shurrush, Holly Foster, A. Aimon, Boby Ml, Andrea Volkamer, Alessandro Contini, Voelz, Tobias John, Galit Cohen, A.M. Nakamura, Horrell S, G.D. Noske, Jim Bennett, Oleg M. Michurin, Nicholas A. Wright, Smilova, von Delft A, Ward W, Haim Levy, Tomer Israely, Fate G, McGovern Bl, Anna Carbery, David R. Owen, Zidane H, Cox L, Michael Fairhead, Psenak, Carina Gileadi, Wittmann M, Morwitzer Mj, Solmesky Lj, Anthony Tumber, Robert C. Glen, Eric Jnoff, Reid Sp, Sukrit Singh, Steven De Jonghe, Claire Strain-Damerell, Jason C. Cole, A.J. Powell, Rosales R, Nicole Zitzmann, D. Fearon, Nguyen L, Rodriguez-Guerra J, Shirly Duberstein, Andrew Thompson, Johan Neyts, Benjamin Ian Perry, van Rij Rp, Jose Brandao Neto, William G. Glass, Rufa D, Charline Giroud, Peter Eastman, Hannah E. Bruce Macdonald, Glaucius Oliva, Mark A. Hill, Laura Vangeel, Jiye Shi, Hadas Tamir, R. Skyner, Mikolajek H, Adolfo García-Sastre, Oleinikovas, Pingle M, Henry M, Cvitkovic M, Milne Bf, Hart Sh, Eyermann Cj, Thompson W, Matviiuk T, Andre S. Godoy, Swamy, P. Gehrtz, Jajack A

The COVID-19 pandemic was a stark reminder that a barren global antiviral pipeline has grave humanitarian consequences. Pandemics could be prevented in principle by accessible, easily deployable broad-spectrum oral antivirals. Here we report the resu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::378b6d7608ebe4f22cf964ef3c0dad99
https://doi.org/10.1101/2020.10.29.339317

3. In Silico methods to predict solubility

Autor: James L. McDonagh, John B. O. Mitchell, David S. Palmer, R. Skyner

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::719b63dc772aa3ca546ea8ff95ddf276
https://doi.org/10.1515/9783110559835-003

Probing the average distribution of water in organic hydrate crystal structures with radial distribution functions (RDFs)

Autor: John B. O. Mitchell, Colin R. Groom, R. Skyner

Publikováno v: CrystEngComm. 19:641-652

The authors thank the University of St Andrews, EPSRC (grant EP/L505079/1). The abundance of crystal structures of solvated organic molecules reflects the common role of solvent in the crystallisation process. An understanding of solvation is therefo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::334ea99f37116756af083a23ae95342c
https://doi.org/10.1039/c6ce02119k

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.