Myron A. Smith
7 Papers
123 Citations
Myron A. Smith is an academic researcher. The author has contributed to research in topics: Surface plasmon resonance & Docking (molecular). The author has an hindex of 5, co-authored 7 publications.
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Papers
Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Eric Jnoff,Claudia Albrecht,John J. Barker,Oliver Barker,Edward Beaumont,Steven Bromidge,Frederick Arthur Brookfield,Mark A. Brooks,Christian Bubert,Tom Ceska,Vincent Anthony Corden,Graham Dawson,Stephanie Duclos,Tara Fryatt,Christophe Genicot,Emilie Jigorel,Jason Kwong,Rosemary Maghames,Innocent Mushi,Richard Pike,Zara A. Sands,Myron A. Smith,Christopher C. Stimson,Jean-Philippe Courade +23 more
TL;DR: This X‐ray crystal structure provides breakthrough experimental evidence for the true binding mode of the hit compound (S,R,S)‐1 a, as the ligand orientation was found to differ from that of the initial docking model, which was available at the start of the project.
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The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding.
Myron A. Smith,Volker Mack,Andreas Ebneth,Isabel Moraes,Brunella Felicetti,Michael W. Wood,Dorian Leo Schönfeld,O.C. Mather,Cesura Andrea,John M. Barker +9 more
TL;DR: The structures revealed a fold typical of β-family pyridoxal 5′-phosphate enzymes, with both a large domain and a flexible small domain associated into a symmetric dimer, and indicated a ligand-induced rearrangement of the small domain that organizes the active site for specific turnover of the substrate.
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•Journal Article
Fragment-Based Discovery of BACE 1 Inhibitors Using Functional Assays
Robert Godemann,James Madden,Joachim Krämer,Myron A. Smith,Ulrike Fritz,Thomas Hesterkamp,John Barker,Sabine Höppner,David James Hallett,Cesura Andrea,Andreas Ebneth,John D. Kemp +11 more
TL;DR: Fragment inhibitors cocrystallized with BACE1 in a flap open and flap closed conformation as determined by X-ray crystallography are described here.
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Fragment-based discovery and optimization of BACE1 inhibitors.
James Madden,Jenny R. Dod,Robert Godemann,Joachim Kraemer,Myron A. Smith,Marion Biniszkiewicz,David James Hallett,John Barker,Jane Dannow Dyekjaer,Thomas Hesterkamp +9 more
TL;DR: A novel series of 2-aminobenzimidazole inhibitors of BACE1 has been discovered using fragment-based drug discovery (FBDD) techniques and the rapid optimization of these inhibitors using structure-guided medicinal chemistry is discussed.
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Inside Cover: Binding Mode and Structure–Activity Relationships around Direct Inhibitors of the Nrf2–Keap1 Complex (ChemMedChem 4/2014)
Eric Jnoff,Claudia Albrecht,John Barker,Oliver Barker,Edward Beaumont,Steven Mark Bromidge,Frederick Arthur Brookfield,Mark A. Brooks,Christian Bubert,Tom Ceska,Vincent Anthony Corden,Graham Dawson,Stephanie Duclos,Tara Fryatt,Christophe Genicot,Emilie Jigorel,Jason Kwong,Rosemary Maghames,Innocent Mushi,Richard Pike,Zara A. Sands,Myron A. Smith,Christopher C. Stimson,Jean-Philippe Courade +23 more
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