Exploring biology with small organic molecules

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

THE GENETICS OF CAENORHABDITIS ELEGANS

1974 • 14,589 citations

Duplexes of 21-nucleotide RNAs mediate RNA interference in cultured mammalian cells

2001 • 9,275 citations

Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening

2004 • 4,554 citations

RNA interference

2002 • 3,369 citations

Target-Oriented and Diversity-Oriented Organic Synthesis in Drug Discovery

2000 • 2,450 citations

Present and future of surface plasmon resonance biosensors

2003 • 2,155 citations

Global Analysis of Protein Activities Using Proteome Chips

2001 • 1,857 citations

A Planning Strategy for Diversity‐Oriented Synthesis

2003 • 1,417 citations

Identification of genotype-selective antitumor agents using synthetic lethal chemical screening in engineered human tumor cells

2003 • 1,184 citations

An Information-Intensive Approach to the Molecular Pharmacology of Cancer

1997 • 1,177 citations

DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases.

2001 • 1,132 citations

Microarrays of cells expressing defined cDNAs

2001 • 920 citations

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

1999 • 871 citations

Integration of virtual and high-throughput screening

2002 • 868 citations

Protein microarrays and proteomics

2002 • 852 citations

Exploiting Chemical Libraries, Structure, and Genomics in the Search for Kinase Inhibitors

1998 • 792 citations

Isothermal titration calorimetry and differential scanning calorimetry as complementary tools to investigate the energetics of biomolecular recognition

1999 • 747 citations

Self-Assembling Protein Microarrays

2004 • 546 citations

Pursuing the leadlikeness concept in pharmaceutical research

2004 • 500 citations

Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs

2003 • 469 citations

Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in AutoDock

2001 • 460 citations

Comprehensive Identification of Human bZIP Interactions with Coiled-Coil Arrays

2003 • 453 citations

Printing Small Molecules as Microarrays and Detecting Protein−Ligand Interactions en Masse

1999 • 424 citations

Chemical genetics: ligand-based discovery of gene function

2000 • 417 citations

Chemical genetics resulting from a passion for synthetic organic chemistry

1998 • 405 citations

Generating Diverse Skeletons of Small Molecules Combinatorially

2003 • 376 citations

Dissecting glucose signalling with diversity-oriented synthesis and small-molecule microarrays

2002 • 366 citations

A high-throughput cell migration assay using scratch wound healing, a comparison of image-based readout methods

2004 • 343 citations

Diversity-oriented synthesis; a challenge for synthetic chemistsElectronic supplementary information (ESI) available: Excel file of all the FDA new molecular entities between the years 1998 and July 2003, and new drug approvals between the years 1990 and 2002. See http://www.rsc.org/suppdata/ob/b3/b310752n/

2003 • 331 citations

A chemical genetic screen identifies inhibitors of regulated nuclear export of a Forkhead transcription factor in PTEN-deficient tumor cells

2003 • 326 citations

Peptide and Small Molecule Microarray for High Throughput Cell Adhesion and Functional Assays

2001 • 324 citations

Gene expression–based high-throughput screening(GE-HTS) and application to leukemia differentiation

2004 • 272 citations

Integrating virtual screening in lead discovery

2004 • 247 citations

PERSPECTIVE

2003 • 245 citations

Discovery of a Potent and Selective Protein Kinase CK2 Inhibitor by High-Throughput Docking

2003 • 215 citations

Inducible gene expression and protein translocation using nontoxic ligands identified by a mammalian three-hybrid screen

1997 • 198 citations

Small Molecule Affinity Fingerprinting

2002 • 169 citations

Profiling protein function with small molecule microarrays

2002 • 167 citations

A protein-domain microarray identifies novel protein–protein interactions

2002 • 152 citations

Indoprofen Upregulates the Survival Motor Neuron Protein through a Cyclooxygenase-Independent Mechanism

2004 • 150 citations

A cell-based screen for drugs to treat Huntington's disease

2004 • 135 citations

Development and Application of Fluorescence Polarization Assays in Drug Discovery

2003 • 112 citations

Twenty-five years of cell cycle genetics.

1991 • 106 citations

Frontiers in chemical genetics

2000 • 97 citations

Biological Mechanism Profiling Using an Annotated Compound Library

2003 • 96 citations

Measuring protein—protein interactions

1998 • 93 citations

Synthesis of a Tetronic Acid Library Focused on Inhibitors of Tyrosine and Dual-Specificity Protein Phosphatases and Its Evaluation Regarding VHR and Cdc25B Inhibition

2001 • 84 citations

Pathway Development and Pilot Library Realization in Diversity-Oriented Synthesis

2002 • 60 citations

Confirming Specificity of RNAi in Mammalian Cells

2002 • 59 citations

A Cell System with Targeted Disruption of the SMNGene

2001 • 55 citations

Countering Cooperative Effects in Protease Inhibitors Using Constrained β-Strand-Mimicking Templates in Focused Combinatorial Libraries

2004 • 49 citations

Identification of novel inhibitors of BCR-ABL tyrosine kinase via virtual screening

2003 • 49 citations

Early Discovery Drug Screening Using Mass Spectrometry

2002 • 48 citations

Strategies for designing GPCR-focused libraries and screening sets.

2004 • 40 citations

Label-Free Parallel Screening of Combinatorial Triazine Libraries Using Reflectometric Interference Spectroscopy

2002 • 38 citations

Development of an assay for label-free high-throughput screening of thrombin inhibitors by use of reflectometric interference spectroscopy

2001 • 37 citations

Modern drug development from traditional medicinal plants using radioligand receptor-binding assays

1998 • 35 citations

Chemical Genetic Screening Approaches to Neurobiology

2002 • 35 citations

Physical and spectroscopic methods for the evaluation of the interactions of antimitotic agents with tubulin

1991 • 33 citations

A Flexible Data Analysis Tool for Chemical Genetic Screens

2004 • 32 citations

Molecular scaffold-based design and comparison of combinatorial libraries focused on the ATP-binding site of protein kinases

1999 • 32 citations

Fluorescence Correlation Spectroscopy: Molecular Complexing in Solution and in Living Cells

2007 • 32 citations

Recent Advances in NMR Expanding its Role in Rational Drug Design

2001 • 29 citations

Protein affinity map of chemical space

1998 • 28 citations

Chemical microarrays, fragment diversity, label-free imaging by plasmon resonance?a chemical genomics approach

2002 • 27 citations

Recent developments in analytical and functional protein microarrays.

2003 • 25 citations

A Solid Phase Library Synthesis of Hydroxyindoline-Derived Tricyclic Derivatives by Mitsunobu Approach

2003 • 25 citations

Chemical genomics as an emerging paradigm for postgenomic drug discovery

2003 • 22 citations

A Solid-Phase, Library Synthesis of Natural-Product-Like Derivatives from an Enantiomerically Pure Tetrahydroquinoline Scaffold

2003 • 18 citations

Fluorescence Imaging and Engineered Biosensors

2002 • 15 citations

Design of diversity and focused combinatorial libraries in drug discovery.

2004 • 15 citations

Global analysis of large-scale chemical and biological experiments.

2002 • 14 citations

To affinity and beyond

2003 • 11 citations

Fluorescence Correlation Spectroscopy: Molecular Complexing in Solution and in Living Cells

2003 • 11 citations

Playing with the pieces

2003 • 8 citations

Deleted Work

1955 • 0 citations