Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Edward Jolyon Griffen"'
Autor:
Adrian Liam Gill, Severin K. Thompson, Alexander G. Dossetter, Edward Jolyon Griffen, Andreas Buckl
Publikováno v:
Expert Opinion on Therapeutic Patents. 31:1189-1204
Introduction: Up to 30% of all human cancers are driven by the overactivation of RAS signaling. Son of Sevenless 1 (SOS1) is a central node in RAS signaling pathways and modulation of SOS1-mediated RAS activation represents a unique opportunity for t
Publikováno v:
Burger's Medicinal Chemistry and Drug Discovery
Autor:
Stephen J. Messham, Andrew G. Leach, Steven J. Enoch, Francesco Coppola, Alhusein Hussin, Joanna Zarnecka, Alexander G. Dossetter, Iva Lukac, Edward Jolyon Griffen
Publikováno v:
Zarnecka, J, Lukac, I, Messham, S J, Hussin, A, Coppola, F, Enoch, S J, Dossetter, A G, Griffen, E J & Leach, A G 2021, ' Mapping Ligand-Shape Space for Protein–Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins ', Journal of Chemical Information and Modeling, vol. 61, no. 4, pp. 1859–1874 . https://doi.org/10.1021/acs.jcim.1c00089
Many of the recently developed methods to study the shape of molecules permit one conformation of one molecule to be compared to another conformation of the same or a different molecule: a relative shape. Other methods provide an absolute description
Publikováno v:
Griffen, E J, Dossetter, A G & Leach, A G 2020, ' Chemists: AI Is Here; Unite To Get the Benefits ', Journal of Medicinal Chemistry . https://doi.org/10.1021/acs.jmedchem.0c00163
The latest developments in artificial intelligence (AI) have arrived into an existing state of creative tension between computational and medicinal chemists. At their most productive, medicinal and computational chemists have made significant progres
Matched molecular pair analysis (MMPA) is a well accepted, transparent SAR analysis method that also enables the generation of new molecules to address a biological or physicochemical goal. This makes it an ideal component of a compound discovery art
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::153d972ffc2649cd076296af91cf5114
https://doi.org/10.1039/9781788016841-00250
https://doi.org/10.1039/9781788016841-00250
Publikováno v:
Griffen, E J, Dossetter, A G, Leach, A G & Montague, S 2018, ' Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence? ', Drug discovery today, vol. 23, no. 7, pp. 1373-1384 . https://doi.org/10.1016/j.drudis.2018.03.011
It is both the best of times and the worst of times to be a medicinal chemist. Massive amounts of data combined with machine-learning and/or artificial intelligence (AI) tools to analyze it can increase our capabilities. However, drug discovery faces
Autor:
Dennis Norman, Helen E. Colley, Munitta Muthana, Lynne Williams, Joanne Harrison, Sean F. Coole, Mark J. Thompson, Edward Jolyon Griffen, Matthew L. Brett, Sarah Danson, Vamshi Tulasi, Lucinda V. Jackson, Peter Lockey, Melanie Wong, Daniel P. Mason, Luke Jennings, Alexander G. Dossetter
Publikováno v:
Journal of Medicinal Chemistry. 58:9309-9333
A number of indole-3-glyoxylamides have previously been reported as tubulin polymerization inhibitors, although none has yet been successfully developed clinically. We report here a new series of related compounds, modified according to a strategy of
The aim of this article is to highlight the areas in which matched molecular pair analysis has progressed in the last decade and new directions and challenges that are currently being addressed.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f081cb2a3dc011fbe2da44161cf99f74
https://doi.org/10.1016/b978-0-12-409547-2.12347-9
https://doi.org/10.1016/b978-0-12-409547-2.12347-9
Publikováno v:
Drug Discovery Today. 18:724-731
Multiple parameter optimisation in drug discovery is difficult, but Matched Molecular Pair Analysis (MMPA) can help. Computer algorithms can process data in an unbiased way to yield design rules and suggest better molecules, cutting the number of des
Publikováno v:
Journal of Medicinal Chemistry. 54:7739-7750