Zobrazeno 1 - 10
of 110
pro vyhledávání: '"György M. Keserü"'
Autor:
Alice Douangamath, Daren Fearon, Paul Gehrtz, Tobias Krojer, Petra Lukacik, C. David Owen, Efrat Resnick, Claire Strain-Damerell, Anthony Aimon, Péter Ábrányi-Balogh, José Brandão-Neto, Anna Carbery, Gemma Davison, Alexandre Dias, Thomas D. Downes, Louise Dunnett, Michael Fairhead, James D. Firth, S. Paul Jones, Aaron Keeley, György M. Keserü, Hanna F. Klein, Mathew P. Martin, Martin E. M. Noble, Peter O’Brien, Ailsa Powell, Rambabu N. Reddi, Rachael Skyner, Matthew Snee, Michael J. Waring, Conor Wild, Nir London, Frank von Delft, Martin A. Walsh
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020)
The SARS-CoV-2 main protease is an important target for the development of COVID-19 therapeutics. Here, the authors combine X-ray crystallography and mass spectrometry and performed a large scale fragment screening campaign, which yielded 96 liganded
Externí odkaz:
https://doaj.org/article/d499338758524d99942f9963faf75661
Autor:
Sandor Vajda, Justin Rettenmaier, Adrian Whitty, David Hall, György M. Keserü, Dima Kozakov, Krister J. Barkovich, James A. Wells, Christine Yueh, Andrey Alekseenko, Bing Xia, Kathryn A. Porter
Publikováno v:
Journal of Medicinal Chemistry. 62:6512-6524
The inhibition of kinases has been pursued by the pharmaceutical industry for over 20 years. While the locations of the sites that bind type II and III inhibitors at or near the adenosine 5'-triphosphate binding sites are well defined, the literature
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f2f27fb9a77a1181207ce7bec3472b1f
https://doi.org/10.1021/acs.jmedchem.9b00089
https://doi.org/10.1021/acs.jmedchem.9b00089
Publikováno v:
Nature Reviews Drug Discovery. 17:709-727
The key objectives of medicinal chemistry are to efficiently design and synthesize bioactive compounds that have the potential to become safe and efficacious drugs. Most medicinal chemistry programmes rely on screening compound collections populated
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ab901d4b5bc7275b6dfbec6c1424b166
https://doi.org/10.1038/nrd.2018.116
https://doi.org/10.1038/nrd.2018.116
Autor:
Iwan J. P. de Esch, Roderick E. Hubbard, Peter van der Sijde, Iina Hellsten, Angelo Romasanta, Jacqueline E. van Muijlwijk-Koezen, György M. Keserü
Publikováno v:
Romasanta, A K S, van der Sijde, P, Hellsten, I, Hubbard, R E, Keseru, G M, van Muijlwijk-Koezen, J & de Esch, I J P 2018, ' When fragments link : a bibliometric perspective on the development of fragment-based drug discovery ', Drug Discovery Today, vol. 23, no. 9, pp. 1596-1609 . https://doi.org/10.1016/j.drudis.2018.05.004
Drug discovery today, 23(9), 1596-1906. Elsevier
Drug Discovery Today, 23(9), 1596-1609. Elsevier Limited
Drug Discovery Today
Drug discovery today, 23(9), 1596-1906. Elsevier
Drug Discovery Today, 23(9), 1596-1609. Elsevier Limited
Drug Discovery Today
Fragment-based drug discovery (FBDD) is a highly interdisciplinary field, rich in ideas integrated from pharmaceutical sciences, chemistry, biology, and physics, among others. To enrich our understanding of the development of the field, we used bibli
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a8535b7f44c1a20074286c5448fa477
https://research.vu.nl/en/publications/aa16c792-8ca9-48a3-a6e0-b3adfb3ad045
https://research.vu.nl/en/publications/aa16c792-8ca9-48a3-a6e0-b3adfb3ad045
Publikováno v:
Current Topics in Medicinal Chemistry. 17
Protein kinases are one of the most targeted protein families in current drug discovery pipelines. They are implicated in many oncological, inflammatory, CNS-related and other clinical indications. Virtual screening is a computational technique with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8b7b1d0f0a57710b5633a7a48c6c0fe
https://doi.org/10.2174/1568026617666170224121313
https://doi.org/10.2174/1568026617666170224121313
Autor:
Róbert Gábor Kiss, György M. Keserü
Publikováno v:
Expert Opinion on Therapeutic Patents. 24:1185-1197
Histamine H4 receptor (H4R) has been shown to be involved in various inflammatory conditions. Ligands acting on H4R show therapeutic potential in various diseases. For the first time, the positive proof-of-concept clinical trials of the H4 antagonist
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a6036ea4a4886628f0f4c2adbbb0506
https://doi.org/10.1517/13543776.2014.959494
https://doi.org/10.1517/13543776.2014.959494
Publikováno v:
Nature Reviews Drug Discovery. 13:105-121
The judicious application of ligand or binding efficiency metrics, which quantify the molecular properties required to obtain binding affinity for a drug target, is gaining traction in the selection and optimization of fragments, hits and leads. Retr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b62bfad4bb7d1128e20eaffca50e6f0
https://doi.org/10.1038/nrd4163
https://doi.org/10.1038/nrd4163
Autor:
Michael M. Hann, György M. Keserü
Publikováno v:
Nature Reviews Drug Discovery. 11:355-365
Given its position at the heart of small-molecule drug discovery, medicinal chemistry has an important role in tackling the well-known productivity challenges in pharmaceutical research and development. In recent years, extensive analyses of successf
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ec046801432d14e2425e48898442c626
https://doi.org/10.1038/nrd3701
https://doi.org/10.1038/nrd3701
Publikováno v:
Journal of Medicinal Chemistry. 55:1252-1260
Lipophilic efficiency indices such as LLE and LELP were suggested to support balanced optimization of potency and ADMET profile. Here we investigated the performance of LLE and LELP on multiple data sets representing different stages of drug discover
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::649cd14a623dbc0b3c7c97b1a8dda145
https://doi.org/10.1021/jm201388p
https://doi.org/10.1021/jm201388p
Autor:
Robert W. Allan, Sung O. Park, György M. Keserü, Andrew T. Magis, Anurima Majumder, Annet Kirabo, Nicholas C. Figueroa, Rebekah Baskin, Kirpal S. Bisht, Zhizhuang Joe Zhao, Peter P. Sayeski
Publikováno v:
Experimental Hematology. 40:22-34
Hyperkinetic Jak2 tyrosine kinase signaling has been implicated in several hematological disorders, including myeloproliferative neoplasms. Effective Jak2 inhibitors can have significant therapeutic potential. Here, using structure-based virtual scre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67da34a04c8e6360a906df79b56adf9d
https://doi.org/10.1016/j.exphem.2011.10.003
https://doi.org/10.1016/j.exphem.2011.10.003