From fragment to clinical candidate--a historical perspective.
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[1] T. J. R. Harris. High throughput X-ray crystallography for Drug Discovery , 2000 .
[2] David G Myszka,et al. Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase. , 2002, Chemistry & biology.
[3] T. Blundell,et al. Structural biology and drug discovery. , 2005, Drug discovery today.
[4] Paul G Wyatt,et al. Detection of ligands from a dynamic combinatorial library by X-ray crystallography. , 2003, Angewandte Chemie.
[5] David J. Craik,et al. FUNCTIONAL GROUP CONTRIBUTIONS TO DRUG-RECEPTOR INTERACTIONS , 1985 .
[6] R. Stroud,et al. Site-directed ligand discovery. , 2000, Proceedings of the National Academy of Sciences of the United States of America.
[7] Saul H Rosenberg,et al. Discovery of an orally bioavailable small molecule inhibitor of prosurvival B-cell lymphoma 2 proteins. , 2008, Journal of medicinal chemistry.
[8] Gianni Chessari,et al. Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency. , 2007, Journal of medicinal chemistry.
[9] D. Fattori,et al. The fragment-approach: An update , 2006 .
[10] Gerard J Kleywegt,et al. Application and limitations of X-ray crystallographic data in structure-based ligand and drug design. , 2003, Angewandte Chemie.
[11] Phillip Gribbon,et al. High-throughput drug discovery: what can we expect from HTS? , 2005, Drug discovery today.
[12] P. Leeson,et al. The influence of drug-like concepts on decision-making in medicinal chemistry , 2007, Nature Reviews Drug Discovery.
[13] Tudor I. Oprea,et al. The Design of Leadlike Combinatorial Libraries. , 1999, Angewandte Chemie.
[14] M. Uesugi,et al. [Discovering high-affinity ligands for proteins: SAR by NMR]. , 2007, Tanpakushitsu kakusan koso. Protein, nucleic acid, enzyme.
[15] R. Hertzberg,et al. High-throughput screening: new technology for the 21st century. , 2000, Current opinion in chemical biology.
[16] Dustin J Maly,et al. Combinatorial target-guided ligand assembly: identification of potent subtype-selective c-Src inhibitors. , 2000, Proceedings of the National Academy of Sciences of the United States of America.
[17] Vicki L. Nienaber,et al. Discovering novel ligands for macromolecules using X-ray crystallographic screening , 2000, Nature Biotechnology.
[18] J. T. Metz,et al. Ligand efficiency indices as guideposts for drug discovery. , 2005, Drug discovery today.
[19] A. Hopkins,et al. Ligand efficiency: a useful metric for lead selection. , 2004, Drug discovery today.
[20] M. Congreve,et al. A 'rule of three' for fragment-based lead discovery? , 2003, Drug discovery today.
[21] T. Hesterkamp,et al. Fragment based drug discovery using fluorescence correlation: spectroscopy techniques: challenges and solutions. , 2007, Current topics in medicinal chemistry.
[22] Brett A Tounge,et al. The role of molecular size in ligand efficiency. , 2007, Bioorganic & medicinal chemistry letters.
[23] J. Laurence,et al. High-field solution NMR spectroscopy as a tool for assessing protein interactions with small molecule ligands. , 2008, Journal of Pharmacy and Science.
[24] Christopher W. Murray,et al. Entropic Consequences of Linking Ligands , 2006 .
[25] Ajay,et al. The SHAPES strategy: an NMR-based approach for lead generation in drug discovery. , 1999, Chemistry & biology.
[26] Bohdan Waszkowycz,et al. PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors. , 2002, Journal of medicinal chemistry.
[27] Christopher W Murray,et al. Fragment-based lead discovery using X-ray crystallography. , 2005, Journal of medicinal chemistry.
[28] Alexander A Alex,et al. Fragment-based drug discovery: what has it achieved so far? , 2007, Current topics in medicinal chemistry.
[29] Glyn Williams,et al. Fragment-based screening using X-ray crystallography and NMR spectroscopy. , 2007, Current opinion in chemical biology.
[30] W. Guida,et al. The art and practice of structure‐based drug design: A molecular modeling perspective , 1996, Medicinal research reviews.
[31] I. Kuntz,et al. The maximal affinity of ligands. , 1999, Proceedings of the National Academy of Sciences of the United States of America.
[32] Marcel L Verdonk,et al. Automated Protein–Ligand Crystallography for Structure‐Based Drug Design , 2006, ChemMedChem.
[33] Paul G Wyatt,et al. Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design. , 2008, Journal of medicinal chemistry.
[34] Gebhard F. X. Schertler,et al. Structure of a β1-adrenergic G-protein-coupled receptor , 2008, Nature.
[35] Karl A. Walter,et al. ChemInform Abstract: Discovery of Potent Nonpeptide Inhibitors of Stromelysin Using SAR by NMR. , 1997 .
[36] David J. Newman. Natural Products as Leads to Potential Drugs: An Old Process or the New Hope for Drug Discovery? , 2008 .
[37] C L Verlinde,et al. Structure-based drug design: progress, results and challenges. , 1994, Structure.
[38] Leland J. Gershell,et al. A brief history of novel drug discovery technologies , 2003, Nature Reviews Drug Discovery.
[39] P. Goodford. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. , 1985, Journal of medicinal chemistry.
[40] Shenghua Shi,et al. Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent , 2009, Proceedings of the National Academy of Sciences.
[41] Alan L Harvey,et al. Natural products in drug discovery. , 2008, Drug discovery today.
[42] M. Ziebell,et al. Affinity selection-mass spectrometry screening techniques for small molecule drug discovery. , 2007, Current opinion in chemical biology.
[43] D. Kostrewa,et al. Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. A promising alternative to random screening. , 2000, Journal of medicinal chemistry.
[44] P. Hajduk,et al. A decade of fragment-based drug design: strategic advances and lessons learned , 2007, Nature Reviews Drug Discovery.
[45] Wim G. J. Hol,et al. In search of new lead compounds for trypanosomiasis drug design: A protein structure-based linked-fragment approach , 1992, J. Comput. Aided Mol. Des..
[46] Tom L. Blundell,et al. Keynote review: Structural biology and drug discovery , 2005 .
[47] Andrew R. Leach,et al. Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery , 2001, J. Chem. Inf. Comput. Sci..
[48] T Neumann,et al. SPR-based fragment screening: advantages and applications. , 2007, Current topics in medicinal chemistry.
[49] Andrew J. Sharff. HIGH THROUGHPUT CRYSTALLOGRAPHY ON AN IN-HOUSE SOURCE, USING ACTOR , 2003 .
[50] A. Dmitrienko,et al. A phase II study of the oral factor Xa inhibitor LY517717 for the prevention of venous thromboembolism after hip or knee replacement , 2007, Journal of thrombosis and haemostasis : JTH.
[51] Alastair Binnie,et al. Case study: impact of technology investment on lead discovery at Bristol-Myers Squibb, 1998-2006. , 2008, Drug discovery today.
[52] P. Taylor,et al. Click chemistry in situ: acetylcholinesterase as a reaction vessel for the selective assembly of a femtomolar inhibitor from an array of building blocks. , 2002, Angewandte Chemie.
[53] Marcel L. Verdonk,et al. The consequences of translational and rotational entropy lost by small molecules on binding to proteins , 2002, J. Comput. Aided Mol. Des..
[54] Jean-Louis Reymond,et al. Virtual exploration of the small-molecule chemical universe below 160 Daltons. , 2005, Angewandte Chemie.
[55] M. Congreve,et al. Recent developments in fragment-based drug discovery. , 2008, Journal of medicinal chemistry.
[56] W. Jencks,et al. On the attribution and additivity of binding energies. , 1981, Proceedings of the National Academy of Sciences of the United States of America.
[57] F. Lombardo,et al. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. , 2001, Advanced drug delivery reviews.
[58] Tudor I. Oprea,et al. Is There a Difference between Leads and Drugs? A Historical Perspective , 2001, J. Chem. Inf. Comput. Sci..
[59] D. Erlanson. Fragment-based lead discovery: a chemical update. , 2006, Current opinion in biotechnology.
[60] Stefan Knapp,et al. NMR-Based screening with competition water-ligand observed via gradient spectroscopy experiments: detection of high-affinity ligands. , 2002, Journal of medicinal chemistry.
[61] Gerard J Kleywegt,et al. Limitations and lessons in the use of X-ray structural information in drug design , 2008, Drug Discovery Today.