A decade of fragment-based drug design: strategic advances and lessons learned
Data up to Jan 2025
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Abstract
References (73)
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
2001 • 16,438 citations
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
1997 • 9,861 citations
Drug-like properties and the causes of poor solubility and poor permeability
2000 • 3,405 citations
An inhibitor of Bcl-2 family proteins induces regression of solid tumours
2005 • 3,292 citations
Discovering High-Affinity Ligands for Proteins: SAR by NMR
1996 • 1,986 citations
Virtual screening of chemical libraries
2004 • 1,314 citations
A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening
2002 • 1,039 citations
NMR Spectroscopy Techniques for Screening and Identifying Ligand Binding to Protein Receptors
2003 • 971 citations
Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery
2001 • 849 citations
Is There a Difference between Leads and Drugs? A Historical Perspective
2001 • 757 citations
The role of Bcl-2 family members in tumorigenesis
2003 • 536 citations
Functionality maps of binding sites: A multiple copy simultaneous search method
1991 • 535 citations
Ligand efficiency indices as guideposts for drug discovery
2005 • 516 citations
Druggability Indices for Protein Targets Derived from NMR-Based Screening Data
2005 • 508 citations
Knockouts model the 100 best-selling drugs—will they model the next 100?
2002 • 392 citations
Dynamic Combinatorial Chemistry
2001 • 391 citations
Tethering: Fragment-Based Drug Discovery
2004 • 374 citations
Novel p-Arylthio Cinnamides as Antagonists of Leukocyte Function-Associated Antigen-1/Intracellular Adhesion Molecule-1 Interaction. 2. Mechanism of Inhibition and Structure-Based Improvement of Pharmaceutical Properties
2001 • 338 citations
Fragment-based lead discovery: leads by design
2005 • 337 citations
Discovering novel ligands for macromolecules using X-ray crystallographic screening
2000 • 313 citations
Theory and Applications of NMR-Based Screening in Pharmaceutical Research
2004 • 312 citations
Discovery of Potent Nonpeptide Inhibitors of Stromelysin Using SAR by NMR
1997 • 309 citations
Virtual Exploration of the Small‐Molecule Chemical Universe below 160 Daltons
2005 • 307 citations
Discovery of a Potent Inhibitor of the Antiapoptotic Protein Bcl-xL from NMR and Parallel Synthesis
2005 • 281 citations
Recent advances in matrix metalloproteinase inhibitor research
1996 • 279 citations
Can cell systems biology rescue drug discovery?
2005 • 275 citations
The SHAPES strategy: an NMR-based approach for lead generation in drug discovery
1999 • 270 citations
Fragment-Based Drug Design: How Big Is Too Big?
2006 • 264 citations
Integrating virtual screening in lead discovery
2004 • 247 citations
Critical review of the role of HTS in drug discovery
2006 • 238 citations
Discovery of a Potent Small Molecule IL-2 Inhibitor through Fragment Assembly
2003 • 234 citations
NMR-based screening in drug discovery
1999 • 227 citations
ALARM NMR: A Rapid and Robust Experimental Method To Detect Reactive False Positives in Biochemical Screens
2004 • 220 citations
Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
2003 • 215 citations
A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
2005 • 203 citations
Rescuing drug discovery: in vivo systems pathology and systems pharmacology
2005 • 200 citations
Library Design for Fragment Based Screening
2005 • 189 citations
Identification of Novel p38α MAP Kinase Inhibitors Using Fragment-Based Lead Generation
2004 • 178 citations
Rediscovering the sweet spot in drug discovery
2003 • 177 citations
Fragment‐based Approaches in Drug Discovery
2006 • 175 citations
New assay technologies for high-throughput screening
1998 • 150 citations
Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits
2006 • 148 citations
TINS, Target Immobilized NMR Screening: An Efficient and Sensitive Method for Ligand Discovery
2005 • 138 citations
Structural Biology and Drug Discovery
2006 • 131 citations
Recent developments in dynamic combinatorial chemistry
2002 • 129 citations
Efficient synthetic inhibitors of anthrax lethal factor
2005 • 126 citations
Diffusion-Edited NMR−Affinity NMR for Direct Observation of Molecular Interactions
1997 • 118 citations
A General NMR Method for Rapid, Efficient, and Reliable Biochemical Screening
2003 • 116 citations
NMR-Based Screening with Competition Water−Ligand Observed via Gradient Spectroscopy Experiments: Detection of High-Affinity Ligands
2002 • 109 citations
Components of Successful Lead Generation
2005 • 108 citations
Identification of Potent and Selective Small-Molecule Inhibitors of Caspase-3 through the Use of Extended Tethering and Structure-Based Drug Design
2002 • 104 citations
Characterization of protein-ligand interaction sites using experimental and computational methods.
2006 • 101 citations
Phenoxyphenyl SulfoneN-Formylhydroxylamines (Retrohydroxamates) as Potent, Selective, Orally Bioavailable Matrix Metalloproteinase Inhibitors
2001 • 97 citations
SAR and X-ray. A New Approach Combining Fragment-Based Screening and Rational Drug Design: Application to the Discovery of Nanomolar Inhibitors of Src SH2
2002 • 89 citations
Structure–activity relationships by interligand NOE-based design and synthesis of antiapoptotic compounds targeting Bid
2006 • 88 citations
Key Aspects of the Novartis Compound Collection Enhancement Project for the Compilation of a Comprehensive Chemogenomics Drug Discovery Screening Collection
2005 • 77 citations
In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors
2005 • 77 citations
Discovery of novel inhibitors of Bcl-xL using multiple high-throughput screening platforms
2004 • 70 citations
Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization
2004 • 70 citations
Identification of a lead small-molecule inhibitor of the Aurora kinases using a structure-assisted, fragment-based approach
2006 • 66 citations
Design of Adenosine Kinase Inhibitors from the NMR-Based Screening of Fragments
2000 • 64 citations
Integration of NMR and High-Throughput Screening
2002 • 60 citations
Theoretical Analysis of the Inter-Ligand Overhauser Effect: A New Approach for Mapping Structural Relationships of Macromolecular Ligands
1999 • 51 citations
Requirements for Specific Binding of Low Affinity Inhibitor Fragments to the SH2 Domain ofpp60Src Are Identical to Those for High Affinity Binding of Full Length Inhibitors
2003 • 49 citations
NMR spectroscopy as a tool for structure-based drug design
1998 • 49 citations
Fragment screening by biochemical assay
2006 • 47 citations
The multiple orthogonal tools approach to define molecular causation in the validation of druggable targets
2004 • 43 citations
Challenges and prospects for computational aids to molecular diversity
1996 • 29 citations
Leveraging structural approaches: applications of NMR-based screening and X-ray crystallography for inhibitor design
2003 • 26 citations
Site-directed structure generation by fragment-joining
1995 • 26 citations
Genomics: success or failure to deliver drug targets?
2005 • 25 citations
Structural analysis of caspase-1 inhibitors derived from Tethering
2005 • 24 citations
Fragmentary Solutions Astex Therapeutics Puts the Pieces Together
2006 • 3 citations