Selecting the Right Targets for Fragment‐Based Drug Discovery
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T. G. Davies | Glyn Williams | H. Jhoti | T. Davies | Harren Jhoti | Glyn Williams | Puja Pathuri | P. Pathuri
[1] Binh Vu,et al. Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor. , 2013, ACS medicinal chemistry letters.
[2] BinQing Wei,et al. Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase. , 2013, Bioorganic & medicinal chemistry letters.
[3] V. Marx. Structural biology: 'seeing' crystals the XFEL way , 2014, Nature Methods.
[4] Philipp Baaske,et al. MicroScale Thermophoresis: Interaction analysis and beyond , 2014 .
[5] B. Finzel,et al. Fragment-based identification of an inducible binding site on cell surface receptor CD44 for the design of protein-carbohydrate interaction inhibitors. , 2014, Journal of medicinal chemistry.
[6] Rutger H A Folmer,et al. Fragment screening to predict druggability (ligandability) and lead discovery success. , 2011, Drug discovery today.
[7] P. Hajduk,et al. Druggability indices for protein targets derived from NMR-based screening data. , 2005, Journal of medicinal chemistry.
[8] L. Cantley,et al. Small molecule activation of PKM2 in cancer cells induces serine auxotrophy. , 2012, Chemistry & biology.
[9] Nagasuma Chandra,et al. PocketDepth: a new depth based algorithm for identification of ligand binding sites in proteins. , 2008, Journal of structural biology.
[10] G. Bodenhausen,et al. Exploring Weak Ligand–Protein Interactions by Long-Lived NMR States: Improved Contrast in Fragment-Based Drug Screening , 2014, Angewandte Chemie.
[11] L. Levin,et al. Kinetic Properties of “Soluble” Adenylyl Cyclase , 2003, The Journal of Biological Chemistry.
[12] Paul N. Mortenson,et al. Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. , 2012, ACS medicinal chemistry letters.
[13] A. Wittinghofer,et al. Structure guided design and kinetic analysis of highly potent benzimidazole inhibitors targeting the PDEδ prenyl binding site. , 2014, Journal of medicinal chemistry.
[14] A. Good,et al. The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. , 2011, Bioorganic & medicinal chemistry letters.
[15] Meir Glick,et al. Inside the Mind of a Medicinal Chemist: The Role of Human Bias in Compound Prioritization during Drug Discovery , 2012, PloS one.
[16] J. Wells,et al. Small-molecule inhibitors of protein-protein interactions: progressing toward the reality. , 2014, Chemistry & biology.
[17] S. Barelier,et al. Fragment-based deconstruction of Bcl-xL inhibitors. , 2010, Journal of medicinal chemistry.
[18] Identification of High‐Affinity β‐Secretase Inhibitors Using Fragment‐Based Lead Generation , 2008 .
[19] Tom Halgren,et al. New Method for Fast and Accurate Binding‐site Identification and Analysis , 2007, Chemical biology & drug design.
[20] Susan M. Boyd,et al. Fragment library design: efficiently hunting drugs in chemical space. , 2010, Drug discovery today. Technologies.
[21] Harren Jhoti,et al. The 'rule of three' for fragment-based drug discovery: where are we now? , 2013, Nature Reviews Drug Discovery.
[22] P. Johnston,et al. SAHA overcomes FLIP-mediated inhibition of SMAC mimetic-induced apoptosis in mesothelioma , 2013, Cell Death and Disease.
[23] D. Altshuler,et al. Validating therapeutic targets through human genetics , 2013, Nature Reviews Drug Discovery.
[24] R. Nussinov,et al. Allostery and population shift in drug discovery. , 2010, Current opinion in pharmacology.
[25] Ivet Bahar,et al. ProDy: Protein Dynamics Inferred from Theory and Experiments , 2011, Bioinform..
[26] Stéphanie Pérot,et al. Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery. , 2010, Drug discovery today.
[27] Richard M. Jackson,et al. Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites , 2005, Bioinform..
[28] G. Chessari,et al. Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. , 2015, Journal of medicinal chemistry.
[29] M. Congreve,et al. Crystal Structure of Human Soluble Adenylate Cyclase Reveals a Distinct, Highly Flexible Allosteric Bicarbonate Binding Pocket , 2014, ChemMedChem.
[30] J. Rabinowitz,et al. Pyruvate kinase M2 promotes de novo serine synthesis to sustain mTORC1 activity and cell proliferation , 2012, Proceedings of the National Academy of Sciences.
[31] P. Goodford. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. , 1985, Journal of medicinal chemistry.
[32] Brandon J. Bravo,et al. Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). , 2014, Bioorganic & medicinal chemistry letters.
[33] R. Hillig,et al. A structural biology view of target drugability , 2008, Expert opinion on drug discovery.
[34] S. P. Andrews,et al. Structure‐Based and Fragment‐Based GPCR Drug Discovery , 2014, ChemMedChem.
[35] J. Mestan,et al. Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay. , 2010, Journal of the American Chemical Society.
[36] Marcel L Verdonk,et al. Identification of inhibitors of protein kinase B using fragment-based lead discovery. , 2007, Journal of medicinal chemistry.
[37] Christopher W Murray,et al. Efficient exploration of chemical space by fragment-based screening. , 2014, Progress in biophysics and molecular biology.
[38] Jon Winter,et al. Design and synthesis of novel lactate dehydrogenase A inhibitors by fragment-based lead generation. , 2012, Journal of medicinal chemistry.
[39] D. Goodsell,et al. Automated prediction of ligand‐binding sites in proteins , 2007, Proteins.
[40] Dima Kozakov,et al. Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques , 2009, Bioinform..
[41] A. Hopkins,et al. The role of ligand efficiency metrics in drug discovery , 2014, Nature Reviews Drug Discovery.
[42] Eyal Gottlieb,et al. Serine is a natural ligand and allosteric activator of pyruvate kinase M2 , 2012, Nature.
[43] Daniel R. Caffrey,et al. Structure-based maximal affinity model predicts small-molecule druggability , 2007, Nature Biotechnology.
[44] Andrew J. Woodhead,et al. Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function , 2012, Nature chemical biology.
[45] P. Hirth,et al. Vemurafenib: the first drug approved for BRAF-mutant cancer , 2012, Nature Reviews Drug Discovery.
[46] P. Hajduk,et al. Predicting protein druggability. , 2005, Drug discovery today.
[47] A. Stamford,et al. Inhibitors of BACE for treating Alzheimer's disease: a fragment-based drug discovery story. , 2013, Current opinion in chemical biology.
[48] Liang Lin,et al. Contextualized trajectory parsing with spatiotemporal graph. , 2013, IEEE transactions on pattern analysis and machine intelligence.
[49] Monya Baker,et al. Fragment-based lead discovery grows up , 2012, Nature Reviews Drug Discovery.
[50] W. Jahnke,et al. Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. , 2010, Nature chemical biology.
[51] Jean-Louis Reymond,et al. Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F: Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug Discovery , 2007, J. Chem. Inf. Model..
[52] M Hendlich,et al. LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins. , 1997, Journal of molecular graphics & modelling.
[53] Christopher W Murray,et al. Experiences in fragment-based drug discovery. , 2012, Trends in pharmacological sciences.
[54] M. Mansour,et al. Discovery and optimization of a novel spiropyrrolidine inhibitor of β-secretase (BACE1) through fragment-based drug design. , 2012, Journal of medicinal chemistry.
[55] Paul D. Leeson,et al. The influence of the 'organizational factor' on compound quality in drug discovery , 2011, Nature Reviews Drug Discovery.
[56] R. Abagyan,et al. Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes* , 2005, Molecular & Cellular Proteomics.