Fragment-Based Approaches in Drug Discovery and Chemical Biology

Molecular properties that influence the oral bioavailability of drug candidates

Veber, D. F., Johnson, S. R., Cheng, H.-Y., Smith, B. R., Ward, K. W., & Kopple, K. D. (2002) · Journal of Medicinal Chemistry · doi:10.1021/jm020017n · Cited by 8,420 · see citing works

Modified Spin-Echo Method for Measuring Nuclear Relaxation Times

Meiboom, S., & Gill, D. (1958) · Review of Scientific Instruments · doi:10.1063/1.1716296 · Cited by 6,077 · see citing works

How many drug targets are there?

Overington, J. P., Al-Lazikani, B., & Hopkins, A. L. (2006) · Nature Reviews Drug Discovery · doi:10.1038/nrd2199 · Cited by 3,505 · see citing works

High-Resolution Crystal Structure of an Engineered Human β 2 -Adrenergic G Protein–Coupled Receptor

Cherezov, V., Rosenbaum, D. M., Hanson, M. A., Rasmussen, S. G. F., Thian, F. S., Kobilka, T. S., Choi, H., Kühn, P., Weis, W. I., Kobilka, B. K., et al. (2007) · Science · doi:10.1126/science.1150577 · Cited by 3,280 · see citing works

Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design

Meanwell, N. A. (2011) · Journal of Medicinal Chemistry · doi:10.1021/jm1013693 · Cited by 2,886 · see citing works

The use of differential scanning fluorimetry to detect ligand interactions that promote protein stability

Niesen, F., Berglund, H., & Vedadi, M. (2007) · Nature Protocols · doi:10.1038/nprot.2007.321 · Cited by 2,420 · see citing works

Discovering High-Affinity Ligands for Proteins: SAR by NMR

Shuker, S. B., Hajduk, P. J., Meadows, R. P., & Fesik, S. W. (1996) · Science · doi:10.1126/science.274.5292.1531 · Cited by 2,045 · see citing works

Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma

Bollag, G. E., Hirth, P., Tsai, J. Y., Zhang, J., Ibrahim, P. N., Cho, H., Spevak, W. R., Zhang, C., Zhang, Y., Habets, G. G. M., et al. (2010) · Nature · doi:10.1038/nature09454 · Cited by 1,841 · see citing works

The 2.6 Angstrom Crystal Structure of a Human A 2A Adenosine Receptor Bound to an Antagonist

Jaakola, V., Griffith, M. T., Hanson, M. A., Cherezov, V., Chien, E. Y. T., Lane, J. R., IJzerman, A. P., & Stevens, R. C. (2008) · Science · doi:10.1126/science.1164772 · Cited by 1,786 · see citing works

Structures of the CXCR4 Chemokine GPCR with Small-Molecule and Cyclic Peptide Antagonists

Wu, B., Chien, E. Y. T., Mol, C. D., Fenalti, G., Liu, W., Katritch, V., Abagyan, R. A., Brooun, A., Wells, P. G., Bi, F. C., et al. (2010) · Science · doi:10.1126/science.1194396 · Cited by 1,785 · see citing works

Structure of a nanobody-stabilized active state of the β2 adrenoceptor

Rasmussen, S. G. F., Choi, H., Fung, J. J., Pardon, E., Casarosa, P., Chae, P. S., DeVree, B. T., Rosenbaum, D. M., Thian, F. S., Kobilka, T. S., et al. (2011) · Nature · doi:10.1038/nature09648 · Cited by 1,682 · see citing works

A ‘Rule of Three’ for fragment-based lead discovery?

Congreve, M., Carr, R. A. E., Murray, C. W., & Jhoti, H. (2003) · Drug Discovery Today · doi:10.1016/s1359-6446(03)02831-9 · Cited by 1,365 · see citing works

Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity

Tsai, J., Lee, J. T., Wang, W., Zhang, J., Cho, H., Mamo, S., Bremer, R., Gillette, S., Kong, J., Haass, N. K., et al. (2008) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0711741105 · Cited by 1,346 · see citing works

Structure of a β1-adrenergic G-protein-coupled receptor

Warne, T., Serrano‐Vega, M. J., Baker, J. G., Moukhametzianov, R., Edwards, P. C., Henderson, R. A., Leslie, A. G. W., Tate, C. G., & Schertler, G. F. X. (2008) · Nature · doi:10.1038/nature07101 · Cited by 1,345 · see citing works

Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist

Chien, E. Y. T., Liu, W., Zhao, Q., Katritch, V., Han, G. W., Hanson, M. A., Shi, L., Newman, A. H., Javitch, J. A., Cherezov, V., et al. (2010) · Science · doi:10.1126/science.1197410 · Cited by 1,134 · see citing works

On the attribution and additivity of binding energies

Jencks, W. P. (1981) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.78.7.4046 · Cited by 914 · see citing works

The maximal affinity of ligands

Kuntz, I. D., Chen, K., Sharp, K. A., & Kollman, P. A. (1999) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.96.18.9997 · Cited by 859 · see citing works

Fragment-Based Drug Discovery

Erlanson, D. A., McDowell, R. S., & O'Brien, T. (2004) · Journal of Medicinal Chemistry · doi:10.1021/jm040031v · Cited by 645 · see citing works

High-throughput crystallography for lead discovery in drug design

Blundell, T. L., Jhoti, H., & Abell, C. (2002) · Nature Reviews Drug Discovery · doi:10.1038/nrd706 · Cited by 529 · see citing works

Identification of compounds with binding affinity to proteins via magnetization transfer from bulk water*

Dalvit, C., Pevarello, P., Tatò, M., Veronesi, M., Vulpetti, A., & Sundström, M. (2000) · Journal of Biomolecular NMR · doi:10.1023/a:1008354229396 · Cited by 470 · see citing works

Site-directed ligand discovery

Erlanson, D. A., Braisted, A. C., Raphael, D. R., Randal, M., Stroud, R. M., Gordon, E. M., & Wells, J. A. (2000) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.97.17.9367 · Cited by 466 · see citing works

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

Fink, T., & Reymond, J. (2007) · Journal of Chemical Information and Modeling · doi:10.1021/ci600423u · Cited by 457 · see citing works

The design of drugs for HIV and HCV

Clercq, E. D. (2007) · Nature Reviews Drug Discovery · doi:10.1038/nrd2424 · Cited by 429 · see citing works

Nonleadlikeness and leadlikeness in biochemical screening

Rishton, G. M. (2003) · Drug Discovery Today · doi:10.1016/s1359644602025722 · Cited by 381 · see citing works

One-Dimensional Relaxation- and Diffusion-Edited NMR Methods for Screening Compounds That Bind to Macromolecules

Hajduk, P. J., Olejniczak, E. T., & Fesik, S. W. (1997) · Journal of the American Chemical Society · doi:10.1021/ja9715962 · Cited by 372 · see citing works

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

Wyatt, P. G., Woodhead, A., Berdini, V., Boulstridge, J. A., Carr, M. G., Cross, D. M., Davis, D., Devine, L. A., Early, T. R., Feltell, R. E., et al. (2008) · Journal of Medicinal Chemistry · doi:10.1021/jm800382h · Cited by 346 · see citing works

Keynote review: Structural biology and drug discovery

Congreve, M., Murray, C. W., & Blundell, T. L. (2005) · Drug Discovery Today · doi:10.1016/s1359-6446(05)03484-7 · Cited by 338 · see citing works

Fragment-Based Discovery of the Pyrazol-4-yl Urea (AT9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity

Howard, S., Berdini, V., Boulstridge, J. A., Carr, M. G., Cross, D. M., Curry, J. E., Devine, L. A., Early, T. R., Fazal, L., Gill, A. L., et al. (2008) · Journal of Medicinal Chemistry · doi:10.1021/jm800984v · Cited by 338 · see citing works

Discovering novel ligands for macromolecules using X-ray crystallographic screening

Nienaber, V. L., Richardson, P. L., Klighofer, V., Bouska, J. J., Giranda, V. L., & Greer, J. (2000) · Nature Biotechnology · doi:10.1038/80319 · Cited by 322 · see citing works

Discovery of a Potent Inhibitor of the Antiapoptotic Protein Bcl-x L from NMR and Parallel Synthesis

Petros, A. M., Dinges, J., Augeri, D. J., Baumeister, S. A., Betebenner, D. A., Bures, M. G., Elmore, S. W., Hajduk, P. J., Joseph, M. K., Landis, S. K., et al. (2005) · Journal of Medicinal Chemistry · doi:10.1021/jm0507532 · Cited by 295 · see citing works

Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups

Ertl, P. (2002) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci0255782 · Cited by 294 · see citing works

Route to three-dimensional fragments using diversity-oriented synthesis

Hung, A. W., Ramek, A., Wang, Y., Kaya, T., Wilson, J. A., Clemons, P. A., & Young, D. W. (2011) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1015271108 · Cited by 272 · see citing works

Discovery of (2,4-Dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design

Woodhead, A., Angove, H. C., Carr, M. G., Chessari, G., Congreve, M., Coyle, J. E., Cosme, J., Graham, B. L., Day, P. J., Downham, R., et al. (2010) · Journal of Medicinal Chemistry · doi:10.1021/jm100060b · Cited by 267 · see citing works

Nitric Oxide: Chemical Puzzles Posed by a Biological Messenger

Pfeiffer, S., Mayer, B., & Hemmens, B. (1999) · Angewandte Chemie International Edition · doi:10.1002/(sici)1521-3773(19990614)38:12 · Cited by 266 · see citing works

Applications of ESI-MS in drug discovery: interrogation of noncovalent complexes

Hofstadler, S. A., & Sannes‐Lowery, K. A. (2006) · Nature Reviews Drug Discovery · doi:10.1038/nrd2083 · Cited by 250 · see citing works

CYTOCHROME P450 ACTIVATION OF ARYLAMINES AND HETEROCYCLIC AMINES

Kim, D., & Guengerich, F. P. (2004) · The Annual Review of Pharmacology and Toxicology · doi:10.1146/annurev.pharmtox.45.120403.100010 · Cited by 250 · see citing works

Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine β-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency

Edwards, P. D., Albert, J. S., Sylvester, M. A., Aharony, D., Andisik, D. W., Callaghan, O., Campbell, J. B., Carr, R. A. E., Chessari, G., Congreve, M., et al. (2007) · Journal of Medicinal Chemistry · doi:10.1021/jm070829p · Cited by 213 · see citing works

Structural biology in fragment-based drug design

Murray, C. W., & Blundell, T. L. (2010) · Current Opinion in Structural Biology · doi:10.1016/j.sbi.2010.04.003 · Cited by 208 · see citing works

The consequences of translational and rotational entropy lost by small molecules on binding to proteins

Murray, C. W., & Verdonk, M. L. (2002) · Journal of Computer-Aided Molecular Design · doi:10.1023/a:1022446720849 · Cited by 201 · see citing works

SPR-based Fragment Screening: Advantages and Applications

Neumann, T., Junker, H.-D., Schmidt, K., & Sekul, R. (2007) · Current Topics in Medicinal Chemistry · doi:10.2174/156802607782341073 · Cited by 190 · see citing works

Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery

Chung, C., Dean, A. W., Woolven, J. M., & Bamborough, P. (2011) · Journal of Medicinal Chemistry · doi:10.1021/jm201320w · Cited by 188 · see citing works

Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency

Murray, C. W., Carr, M. G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J. E., Downham, R., Figueroa, E., Frederickson, M., et al. (2010) · Journal of Medicinal Chemistry · doi:10.1021/jm100059d · Cited by 186 · see citing works

Apo and Inhibitor Complex Structures of BACE (β-secretase)

Patel, S., Vuillard, L. M., Cleasby, A., Murray, C. W., & Yon, J. R. (2004) · Journal of Molecular Biology · doi:10.1016/j.jmb.2004.08.018 · Cited by 180 · see citing works

Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides

Bamborough, P., Diallo, H., Goodacre, J. D., Gordon, L. J., Lewis, A. J., Seal, J. T., Wilson, D. M., Woodrow, M. D., & Chung, C. (2011) · Journal of Medicinal Chemistry · doi:10.1021/jm201283q · Cited by 175 · see citing works

Combining Hit Identification Strategies: Fragment-Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-d]pyrimidine Inhibitors of the Hsp90 Molecular Chaperone

Brough, P. A., Barril, X., Borgognoni, J., Chêne, P., Davies, N. G. M., Davis, B. J., Drysdale, M. J., Dymock, B. W., Eccles, S. A., Garcı́a-Echeverrı́a, C., et al. (2009) · Journal of Medicinal Chemistry · doi:10.1021/jm900357y · Cited by 175 · see citing works

NMR-Based Discovery of Lead Inhibitors That Block DNA Binding of the Human Papillomavirus E2 Protein

Hajduk, P. J., Dinges, J., Miknis, G. F., Merlock, M., Middleton, T. R., Kempf, D. J., Egan, D. A., Walter, K. A., Robins, T. S., Shuker, S. B., et al. (1997) · Journal of Medicinal Chemistry · doi:10.1021/jm9703404 · Cited by 169 · see citing works

Fragment Screening by Surface Plasmon Resonance

Navratilova, I. H., & Hopkins, A. L. (2010) · ACS Medicinal Chemistry Letters · doi:10.1021/ml900002k · Cited by 168 · see citing works

Discovery and development of heat shock protein 90 inhibitors

Taldone, T., Sun, W., & Chiosis, G. (2008) · Bioorganic & Medicinal Chemistry · doi:10.1016/j.bmc.2008.10.087 · Cited by 162 · see citing works

A class of selective antibacterials derived from a protein kinase inhibitor pharmacophore

Miller, J. R., Dunham, S. A., Mochalkin, I., et al. (2009) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0811275106 · Cited by 159 · see citing works

Discovery of a Novel Warhead against β-Secretase through Fragment-Based Lead Generation

Geschwindner, S., Olsson, L., Albert, J. S., et al. (2007) · Journal of Medicinal Chemistry · doi:10.1021/jm070825k · Cited by 149 · see citing works

Application of Fragment Growing and Fragment Linking to the Discovery of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase

Hung, A. W., Silvestre, H. L., Wen, S., et al. (2009) · Angewandte Chemie International Edition · doi:10.1002/anie.200903821 · Cited by 147 · see citing works

Application of Fragment Screening by X-ray Crystallography to β-Secretase

Murray, C. W., Callaghan, O., Chessari, G., Cleasby, A., Congreve, M., Frederickson, M., Hartshorn, M. J., McMenamin, R. L., Patel, S., & Wallis, N. G. (2007) · Journal of Medicinal Chemistry · doi:10.1021/jm0611962 · Cited by 145 · see citing works

Application of Fragment Screening by X-ray Crystallography to the Discovery of Aminopyridines as Inhibitors of β-Secretase

Congreve, M., Aharony, D., Albert, J. S., Callaghan, O., Campbell, J. B., Carr, R. A. E., Chessari, G., Cowan, S., Edwards, P. D., Frederickson, M., et al. (2007) · Journal of Medicinal Chemistry · doi:10.1021/jm061197u · Cited by 144 · see citing works

Integration of fragment screening and library design

Siegal, G., Eiso, A. B., & Schultz, J. (2007) · Drug Discovery Today · doi:10.1016/j.drudis.2007.08.005 · Cited by 142 · see citing works

Pyrrolamide DNA Gyrase Inhibitors: Fragment-Based Nuclear Magnetic Resonance Screening To Identify Antibacterial Agents

Eakin, A. E., Green, O., Hales, N. J., et al. (2011) · Antimicrobial Agents and Chemotherapy · doi:10.1128/aac.05485-11 · Cited by 138 · see citing works

Protein Thermal Shifts to Identify Low Molecular Weight Fragments

Kranz, J. K., & Schalk‐Hihi, C. (2011) · Methods in enzymology on CD-ROM/Methods in enzymology · doi:10.1016/b978-0-12-381274-2.00011-x · Cited by 136 · see citing works

Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors

Howard, N., Abell, C., Blakemore, W. E., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C. W., Seavers, L. C. A., & van Montfort, R. L. M. (2006) · Journal of Medicinal Chemistry · doi:10.1021/jm050850v · Cited by 134 · see citing works

Docking Performance of Fragments and Druglike Compounds

Verdonk, M. L., Giangreco, I., Hall, R. J., Korb, O., Mortenson, P. N., & Murray, C. W. (2011) · Journal of Medicinal Chemistry · doi:10.1021/jm200558u · Cited by 130 · see citing works

Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery

Jahnke, W., Rondeau, J., Cotesta, S., Marzinzik, A. L., Pellé, X., Geiser, M., Strauss, A., Götte, M., Bitsch, F., Hemmig, R., et al. (2010) · Nature Chemical Biology · doi:10.1038/nchembio.421 · Cited by 129 · see citing works

Identifying Chelators for Metalloprotein Inhibitors Using a Fragment-Based Approach

Jacobsen, J. A., Fullagar, J. L., Miller, M. T., & Cohen, S. M. (2010) · Journal of Medicinal Chemistry · doi:10.1021/jm101266s · Cited by 129 · see citing works

Lessons for fragment library design: analysis of output from multiple screening campaigns

Chen, I., & Hubbard, R. E. (2009) · Journal of Computer-Aided Molecular Design · doi:10.1007/s10822-009-9280-5 · Cited by 122 · see citing works

Discovery of Cyclic Acylguanidines as Highly Potent and Selective β-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I—Inhibitor Design and Validation

Zhu, Z., Sun, Z. J., Ye, Y., Voigt, J. H., Strickland, C., Smith, E. M., Cumming, J. N., Wang, L., Wong, J. K. Y., Wang, Y., et al. (2009) · Journal of Medicinal Chemistry · doi:10.1021/jm901408p · Cited by 121 · see citing works

Fragment Screening of Stabilized G-Protein-Coupled Receptors Using Biophysical Methods

Congreve, M., Rich, R. L., Myszka, D. G., et al. (2011) · Methods in enzymology on CD-ROM/Methods in enzymology · doi:10.1016/b978-0-12-381274-2.00005-4 · Cited by 120 · see citing works

Discovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography

Davies, D. R., Mamat, B., Magnússon, Ó. Þ., Christensen, J., Haraldsson, M. H., Mishra, R. K., Pease, B., Hansen, E., Singh, J., Zembower, D. E., et al. (2009) · Journal of Medicinal Chemistry · doi:10.1021/jm900259h · Cited by 119 · see citing works

Toward the Rational Design of p53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant

Basse, N., Kaar, J. L., Settanni, G., Joerger, A. C., Rutherford, T. J., & Fersht, A. R. (2010) · Chemistry & Biology · doi:10.1016/j.chembiol.2009.12.011 · Cited by 117 · see citing works

Discovery and Design of Novel HSP90 Inhibitors Using Multiple Fragment‐based Design Strategies

Huth, J. R., Park, C., Petros, A. M., Kunzer, A. R., Wendt, M. D., Wang, X., Lynch, C. L., Mack, J. C., Swift, K. M., Judge, R. A., et al. (2007) · Chemical Biology & Drug Design · doi:10.1111/j.1747-0285.2007.00535.x · Cited by 116 · see citing works

Application of Fragment Growing and Fragment Linking to the Discovery of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase

Hung, A. W., Silvestre, H. L., Wen, S., et al. (2009) · Angewandte Chemie · doi:10.1002/ange.200903821 · Cited by 115 · see citing works

Fragment-based approaches to enzyme inhibition

Ciulli, A., & Abell, C. (2007) · Current Opinion in Biotechnology · doi:10.1016/j.copbio.2007.09.003 · Cited by 109 · see citing works

Reductive activation of nitroheterocyclic compounds

Tocher, J. H. (1997) · General Pharmacology The Vascular System · doi:10.1016/s0306-3623(96)00283-2 · Cited by 108 · see citing works

Targeting Protein–Protein Interactions and Fragment-Based Drug Discovery

Valkov, E., Sharpe, T., Marsh, M., Greive, S., & Hyvönen, M. (2011) · Topics in Current Chemistry · doi:10.1007/128_2011_265 · Cited by 107 · see citing works

Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches

Mochalkin, I., Miller, J. R., Narasimhan, L. S., et al. (2009) · ACS Chemical Biology · doi:10.1021/cb9000102 · Cited by 107 · see citing works

Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel μM Leads for the Development of nM BACE-1 (β-Site APP Cleaving Enzyme 1) Inhibitors

Wang, Y., Strickland, C., Voigt, J. H., Kennedy, M. E., Beyer, B. M., Senior, M. M., Smith, E. M., Nechuta, T. L., Madison, V., Czarniecki, M., et al. (2009) · Journal of Medicinal Chemistry · doi:10.1021/jm901472u · Cited by 103 · see citing works

Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution

Potter, A. J., Oldfield, V., Nunns, C. L., et al. (2010) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/j.bmcl.2010.09.063 · Cited by 97 · see citing works

Native Ms: An ‘Esi’ Way to Support Structure- and Fragment-Based Drug Discovery

Vivat, V., Atmanène, C., Zeyer, D., DORSSELAER, A. V., & Cianférani, S. (2009) · Future Medicinal Chemistry · doi:10.4155/fmc.09.141 · Cited by 87 · see citing works

Drugging challenging targets using fragment-based approaches

Coyne, A. G., Scott, D. E., & Abell, C. (2010) · Current Opinion in Chemical Biology · doi:10.1016/j.cbpa.2010.02.010 · Cited by 86 · see citing works

Group Efficiency: A Guideline for Hits‐to‐Leads Chemistry

Verdonk, M. L., & Rees, D. C. (2008) · ChemMedChem · doi:10.1002/cmdc.200800132 · Cited by 85 · see citing works

Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis

Edink, E., Rucktooa, P., Retra, K., Akdemir, A., Nahar, T. T., Zuiderveld, O. P., van Elk, R., Janssen, E., van Nierop, P., van Muijlwijk‐Koezen, J. E., et al. (2011) · Journal of the American Chemical Society · doi:10.1021/ja110571r · Cited by 80 · see citing works

Fragment-Based Drug Discovery and X-Ray Crystallography

Davies, T. G., & Hyvönen, M. (2012) · Topics in current chemistry · doi:10.1007/978-3-642-27540-1 · Cited by 77 · see citing works

Optimization of the Interligand Overhauser Effect for Fragment Linking: Application to Inhibitor Discovery against Mycobacterium tuberculosis Pantothenate Synthetase

Sledz, P., Silvestre, H. L., Hung, A. W., et al. (2010) · Journal of the American Chemical Society · doi:10.1021/ja100595u · Cited by 75 · see citing works

Fragment Library Screening and Lead Characterization Using SPR Biosensors

Danielson, U. H. (2009) · Current Topics in Medicinal Chemistry · doi:10.2174/156802609790102392 · Cited by 70 · see citing works

Activity of the multitargeted kinase inhibitor, AT9283, in imatinib-resistant BCR-ABL–positive leukemic cells

Tanaka, R., Squires, M. S., Kimura, S. H., Yokota, A., Nagao, R., Yamauchi, T., Takeuchi, M., Yao, H., Reule, M., Smyth, T., et al. (2010) · Blood · doi:10.1182/blood-2009-03-211466 · Cited by 69 · see citing works

In search of new lead compounds for trypanosomiasis drug design: A protein structure-based linked-fragment approach

Verlinde, C. L. M. J., Rudenko, G., & Hol, W. G. J. (1992) · Journal of Computer-Aided Molecular Design · doi:10.1007/bf00129424 · Cited by 69 · see citing works

Fragment‐Based Screen against HIV Protease

Perryman, A. L., Zhang, Q., Soutter, H. H., Rosenfeld, R. J., McRee, D. E., Olson, A. J., Elder, J. E., & Stout, C. D. (2010) · Chemical Biology & Drug Design · doi:10.1111/j.1747-0285.2009.00943.x · Cited by 66 · see citing works

NMR-based screening: a powerful tool in fragment-based drug discovery

Klages, J., Coles, M. P., & Kessler, H. (2007) · The Analyst · doi:10.1039/b709658p · Cited by 62 · see citing works

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

Xiang, Y., Hirth, B. H., Asmussen, G., et al. (2011) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/j.bmcl.2011.03.030 · Cited by 62 · see citing works

Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors

Antonysamy, S., Aubol, B. E., Blaney, J., et al. (2008) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/j.bmcl.2008.03.056 · Cited by 60 · see citing works

A Fragment-Based Approach to Identifying Ligands for Riboswitches

Chen, L., Cressina, E., Leeper, F. J., et al. (2010) · ACS Chemical Biology · doi:10.1021/cb9003139 · Cited by 59 · see citing works

Fragment screening against the thiamine pyrophosphate riboswitchthiM

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Application of NMR Screening in Drug Discovery

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