Zobrazeno 1 - 10
of 52
pro vyhledávání: '"N Mortenson"'
Autor:
João Morado, Paul N. Mortenson, J. Willem M. Nissink, Jonathan W. Essex, Chris-Kriton Skylaris
Publikováno v:
Journal of Chemical Information and Modeling. 63:2810-2827
Autor:
Richard A. Ward, Marcel L. Verdonk, Paul N. Mortenson, João Morado, Jonathan W. Essex, Chris-Kriton Skylaris
Publikováno v:
Journal of Chemical Information and Modeling. 61:2026-2047
The ensemble of structures generated by molecular mechanics (MM) simulations is determined by the functional form of the force field employed and its parameterization. For a given functional form, the quality of the parameterization is crucial and wi
Autor:
Rachel Grainger, Gianni Chessari, R. Frederick Ludlow, Paul N. Mortenson, David C. Rees, Rhian S. Holvey
Publikováno v:
Chemical Science
We have analysed 131 fragment-to-lead (F2L) examples targeting a wide variety of protein families published by academic and industrial laboratories between 2015–2019. Our assessment of X-ray structural data identifies the most common polar function
Autor:
João Morado, Marcel L. Verdonk, Jonathan W. Essex, Richard A. Ward, J. Willem M. Nissink, Chris-Kriton Skylaris, Paul N. Mortenson
Publikováno v:
Journal of chemical theory and computation. 17(11)
Conformational analysis is of paramount importance in drug design: it is crucial to determine pharmacological properties, understand molecular recognition processes, and characterize the conformations of ligands when unbound. Molecular Mechanics (MM)
Autor:
Wolfgang Jahnke, Christopher N. Johnson, Iwan J. P. de Esch, Daniel A. Erlanson, Paul N. Mortenson
Publikováno v:
Journal of Medicinal Chemistry. 62:3857-3872
This Miniperspective is the third in a series reviewing fragment-to-lead publications from a given year. Following our reviews for 2015 and 2016, this Miniperspective provides tabulated summaries of relevant articles published in 2017 along with some
Autor:
Christopher N. Johnson, Paul N. Mortenson, Tatsuya Urushima, Iwan J. P. de Esch, Yuji Ochi, Daniel A. Erlanson, Wolfgang Jahnke
Publikováno v:
Jahnke, W, Erlanson, D A, De Esch, I J P, Johnson, C N, Mortenson, P N, Ochi, Y & Urushima, T 2020, ' Fragment-to-Lead Medicinal Chemistry Publications in 2019 ', Journal of medicinal chemistry, vol. 63, no. 24, pp. 15494-15507 . https://doi.org/10.1021/acs.jmedchem.0c01608
Journal of medicinal chemistry, 63(24), 15494-15507. American Chemical Society
Journal of medicinal chemistry, 63(24), 15494-15507. American Chemical Society
Fragment-based drug discovery (FBDD) has grown and matured to a point where it is valuable to keep track of its extent and details of application. This Perspective summarizes successful fragment-to-lead stories published in 2019. It is the fifth in a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fcdaf24c52178f2ce262bb9600a6caf7
https://research.vu.nl/ws/files/231253849/Fragment_to_Lead_Medicinal_Chemistry_Publications_in_2018.pdf
https://research.vu.nl/ws/files/231253849/Fragment_to_Lead_Medicinal_Chemistry_Publications_in_2018.pdf
Autor:
Helen F. Sneddon, Rodolfo Cadilla, Young Do, Jeffrey Guss, Gordon Saxty, Paresh I. Masuria, Caterina Musetti, J. Darren Stuart, Beth Pietrak, Daniela Ennulat, Andrew G. King, Barry G. Shearer, Nicholas J. Kramer, Peckham Gregory, Chuck Poole, Alan R. Rendina, Daniel J. Price, H. Fritz Kramer, Tiahshun Xu, Girish Sati, Stephen A. Thomson, Patricia A. Elkins, Jason A. Holt, Alan V. McDougal, Joseph W. Wilson, Susan B. Laffan, Michael R. Jeune, Jan Klapwijk, Dean N. Thomas, Mark Youngman, Paris Ward, Paul N. Mortenson, Lisa M. Shewchuk, Eugene L. Stewart, David N. Deaton
Publikováno v:
Bioorganicmedicinal chemistry. 28(23)
GlaxoSmithKline and Astex Pharmaceuticals recently disclosed the discovery of the potent H-PGDS inhibitor GSK2894631A 1a (IC50 = 9.9 nM) as part of a fragment-based drug discovery collaboration with Astex Pharmaceuticals. This molecule exhibited good
Autor:
Wolfgang Jahnke, Paul N. Mortenson, David C. Rees, Christopher N. Johnson, Daniel A. Erlanson
Publikováno v:
Journal of Medicinal Chemistry. 61:1774-1784
The popularity of fragment-based drug discovery (FBDD) is demonstrated by the number of recent successful fragment-to-lead (F2L) publications. This Miniperspective provides a tabulated summary of the F2L literature published in the year 2016, along w
Autor:
Young Do, Lisa A. Orband-Miller, Anthony Shillings, Joelle Le, Caterina Musetti, Gordon Saxty, Beth Pietrak, Simon Teanby Hodgson, Petrov Kimberly, Daniel J. Price, Stephen A. Thomson, Eugene L. Stewart, Christie Schulte, Ashley Paul Hancock, Terrence L. Smalley, Michael R. Jeune, H. Fritz Kramer, Chuck Poole, Heather Hobbs, Kirsten M. Kahler, J. Darren Stuart, Paul N. Mortenson, Robert T. Nolte, Jason A. Holt, David N. Deaton, Don O. Somers, Elsie Diaz, Jeffrey Guss, Robert T. Gampe, Peckham Gregory
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 47:128113
Through an internal virtual screen at GlaxoSmithKline a distinct class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors were discovered. Careful evaluation of crystal structures and SAR led to a novel, potent, and orally active imida
Autor:
Chuck Poole, Alan R. Rendina, Andrew L. Larkin, Heather Hobbs, Helen F. Sneddon, Lee T. Schaller, Gordon Saxty, Jonathan P. Hutchinson, David N. Deaton, Jeffrey Guss, Young Do, Tianshun Xu, Karen Affleck, Simon Teanby Hodgson, Stephen A. Thomson, H. Fritz Kramer, Caterina Musetti, Peckham Gregory, Ian Edward David Smith, Melanie Leveridge, Harry Nicholls, Jason A. Holt, Don O. Somers, Ying Shen, J. Darren Stuart, Sorif Uddin, Anne Cleasby, Paul N. Mortenson, Caroline Richardson, Daniel J. Price, Lisa M. Shewchuk, Eugene L. Stewart, Michael R. Jeune, David Anders, Lisa A. Orband-Miller, Ashley Paul Hancock, Paris Ward, Joseph W. Wilson
Publikováno v:
Bioorganicmedicinal chemistry. 27(8)
With the goal of discovering more selective anti-inflammatory drugs, than COX inhibitors, to attenuate prostaglandin signaling, a fragment-based screen of hematopoietic prostaglandin D synthase was performed. The 76 crystallographic hits were sorted