Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation.
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John P. Overington | Bissan Al-Lazikani | John Overington | Ognjen Perišić | B. Al-Lazikani | C. Abad-Zapatero | Michael E. Johnson | A. P. Bento | Cele Abad-Zapatero | Ognjen Perišić | John Wass | Michael E. Johnson | John Wass | A Patrícia Bento | Michael E Johnson
[1] Richard Wynn,et al. Structural Insights into the Design of Nonpeptidic Isothiazolidinone-containing Inhibitors of Protein-tyrosine Phosphatase 1B* , 2006, Journal of Biological Chemistry.
[2] M. Congreve,et al. Recent developments in fragment-based drug discovery. , 2008, Journal of medicinal chemistry.
[3] David S. Wishart,et al. DrugBank: a comprehensive resource for in silico drug discovery and exploration , 2005, Nucleic Acids Res..
[4] C. Abad-Zapatero,et al. Ligand efficiency indices for effective drug discovery , 2007, Expert opinion on drug discovery.
[5] Renxiao Wang,et al. The PDBbind database: methodologies and updates. , 2005, Journal of medicinal chemistry.
[6] E. Valeur,et al. Discovery and structure-guided drug design of inhibitors of 11beta-hydroxysteroid-dehydrogenase type I based on a spiro-carboxamide scaffold. , 2009, Bioorganic & medicinal chemistry letters.
[7] Marcel L Verdonk,et al. Group Efficiency: A Guideline for Hits‐to‐Leads Chemistry , 2008, ChemMedChem.
[8] T. N. Bhat,et al. The Protein Data Bank , 2000, Nucleic Acids Res..
[9] Renxiao Wang,et al. The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures. , 2004, Journal of medicinal chemistry.
[10] Dan C. Fara,et al. Lead-like, drug-like or “Pub-like”: how different are they? , 2007, J. Comput. Aided Mol. Des..
[11] X Chen,et al. BindingDB: a web-accessible molecular recognition database. , 2001, Combinatorial chemistry & high throughput screening.
[12] John P. Overington,et al. How many drug targets are there? , 2006, Nature Reviews Drug Discovery.
[13] L. Iversen,et al. 2-(Oxalylamino)-Benzoic Acid Is a General, Competitive Inhibitor of Protein-tyrosine Phosphatases* , 2000, The Journal of Biological Chemistry.
[14] Cele Abad-Zapatero,et al. A sorcerer's apprentice and The Rule of Five: from rule-of-thumb to commandment and beyond. , 2007, Drug discovery today.
[15] Vicki L. Nienaber,et al. Discovering novel ligands for macromolecules using X-ray crystallographic screening , 2000, Nature Biotechnology.
[16] Brett A Tounge,et al. The role of molecular size in ligand efficiency. , 2007, Bioorganic & medicinal chemistry letters.
[17] Ole Hvilsted Olsen,et al. Structure-based Design of a Low Molecular Weight, Nonphosphorus, Nonpeptide, and Highly Selective Inhibitor of Protein-tyrosine Phosphatase 1B* , 2000, The Journal of Biological Chemistry.
[18] P. Leeson,et al. A comparison of physiochemical property profiles of development and marketed oral drugs. , 2003, Journal of medicinal chemistry.
[19] Michael G. Lerner,et al. Binding MOAD (Mother Of All Databases) , 2005, Proteins.
[20] A. Hopkins,et al. Ligand efficiency: a useful metric for lead selection. , 2004, Drug discovery today.
[21] Ian M. Eggleston,et al. Structure-Based Dissection of the Natural Product Cyclopentapeptide Chitinase Inhibitor Argifin , 2008, Chemistry & biology.
[22] Tudor I. Oprea,et al. Chemography: the Art of Navigating in Chemical Space , 2000 .
[23] Heather A Carlson,et al. Exploring protein-ligand recognition with Binding MOAD. , 2006, Journal of molecular graphics & modelling.
[24] C. Lipinski. Drug-like properties and the causes of poor solubility and poor permeability. , 2000, Journal of pharmacological and toxicological methods.
[25] E. Valeur,et al. Discovery and structure-activity relationships of pentanedioic acid diamides as potent inhibitors of 11beta-hydroxysteroid dehydrogenase type I. , 2009, Bioorganic & medicinal chemistry letters.
[26] Thomas R Downs,et al. 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors. , 2006, Bioorganic & medicinal chemistry letters.
[27] J. T. Metz,et al. Ligand efficiency indices as guideposts for drug discovery. , 2005, Drug discovery today.
[28] A. Hopkins,et al. Navigating chemical space for biology and medicine , 2004, Nature.
[29] Emanuele Perola,et al. An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs. , 2010, Journal of medicinal chemistry.
[30] M. Congreve,et al. A 'rule of three' for fragment-based lead discovery? , 2003, Drug discovery today.
[31] Ian A. Watson,et al. Characteristic physical properties and structural fragments of marketed oral drugs. , 2004, Journal of medicinal chemistry.
[32] I. Kuntz,et al. The maximal affinity of ligands. , 1999, Proceedings of the National Academy of Sciences of the United States of America.
[33] X Chen,et al. The binding database: overview and user's guide. , 2001, Biopolymers.
[34] K. Stewart,et al. Drug Guru: a computer software program for drug design using medicinal chemistry rules. , 2006, Bioorganic & medicinal chemistry.
[35] Gang Liu,et al. Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategy. , 2003, Journal of the American Chemical Society.
[36] P. Hajduk,et al. A decade of fragment-based drug design: strategic advances and lessons learned , 2007, Nature Reviews Drug Discovery.
[37] P. Hajduk,et al. Identification of a monoacid-based, cell permeable, selective inhibitor of protein tyrosine phosphatase 1B. , 2003, Bioorganic & medicinal chemistry letters.
[38] C. Bayly,et al. The structural basis for the selectivity of benzotriazole inhibitors of PTP1B. , 2003, Biochemistry.
[39] Michael Bower,et al. Structural Basis for Inhibition of Protein-tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics* , 2006, Journal of Biological Chemistry.
[40] S F Campbell,et al. Science, art and drug discovery: a personal perspective. , 2000, Clinical science.
[41] Zelda R. Wasserman,et al. Structural basis for inhibition of protein-tyrosine phosphatase 1B by isothiazolidinone heterocyclic phosphonate mimetics. , 2006 .
[42] Xin Wen,et al. BindingDB: a web-accessible database of experimentally determined protein–ligand binding affinities , 2006, Nucleic Acids Res..