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Based Screens

The next issue in the drug discovery process following definition of target and sources of diversity is the definition of a lead structure. Lead structures can arise from biochemical or cell-based screens or through structure-based design. Broach and Thorner provide a more exhaustive description of screening strategies than is possible here (14). [Pg.444]

While cell-based screens have been used in purely empirical screening efforts, they can also be used as the basis of target identification or verification. The [Pg.444]

COMPARE analysis can also be used to identify de novo new classes of compounds directed against known targets. For many yearS/ the camptothecin class of compounds was the only explored class of inhibitors of topoisomerase 1, an enzyme responsible for DNA single-strand breaks and religation. COMPARE analysis/ however/ showed a high correlation between camptothecins and a previously unexplored class of compounds known as indenoisoquinolin.es. Confirmatory testing revealed that the hide no isoquinolines did in fact inhibit topoisomerase I (22). [Pg.445]


Mayer TU, Kapoor TM, Haggarty SJ et al (1999) Small molecule inhibitor of mitotic spindle bipolarity identified in a phenotype-based screen. Science 286 971... [Pg.587]

Hajduk PJ, Gerfm T, Boehlen JM et al (1999) High-throughput nuclear magnetic resonance-based screening. J Med Chem 42 2315-2317... [Pg.1109]

The current trend in analytical chemistry applied to evaluate food quality and safety leans toward user-friendly miniaturized instruments and laboratory-on-a-chip applications. The techniques applied to direct screening of colorants in a food matrix include chemical microscopy, a spatial representation of chemical information from complex aggregates inside tissue matrices, biosensor-based screening, and molec-ularly imprinted polymer-based methods that serve as chemical alternatives to the use of immunosensors. [Pg.523]

Klages, J., Coles, M., Kessler, H. NMR-based screening a powerful tool in fragment-based drug discovery. Mol. Biosyst. 2006, 2, 319-331. [Pg.247]

Greeley J, Nprskov JK. 2007. Large-scale density functional theory-based screening of alloys for hydrogen evolution. Surf Sci 601 1590. [Pg.88]

Assessment and definition of sensitivity are often described for quantitative analysis but are of equal importance for qualitative devices of the dip-stick type that are very popular for farm- or field-based screening assays. Because of the somewhat subjective nature of visually assessed assays, the assay s sensitivity must be validated using a number of observers to determine at what level a test is deemed positive. The number of false positives and false negatives must be carefully determined in order to balance consumer safety and potential economic loss to animal producers. [Pg.691]

Designing Novel Kinase Inhibitors from the NMR-based Screening of Fragments 27... [Pg.1]

DESIGNING NOVEL KINASE INHIBITORS FROM THE NMR-BASED SCREENING... [Pg.27]

The abundance of crystallographic information on the 3D structure of protein kinases, including knowledge of receptor-ligand complexes, has seen protein kinases feature consistently in datasets employed to both develop and evaluate methods for receptor-based screening. Indeed, the vast majority of literature surrounding protein kinases and receptor-based in silico... [Pg.32]

Klages J, Coles M, Kessler H (2006) In Bartlett PA, Etzeroth M (eds) NMR-based screening in exploiting chemical diversity for drug discovery, vol 12. RSC, Cambridge, UK, p 263... [Pg.138]

Klages J, Coles M, Kessler H (2006) NMR-based screening. RSC, Cambridge, UK... [Pg.138]

Weissman A, Keefer J, Miagkov A, Sathyamoorthy M, Perschke S, Wang FL (2006) Cell-based screening assays. In Taylor JB, Triggle DJ (eds) Comprehensive medicinal chemistry n. Elsevier, Oxford, Sect 3.29... [Pg.172]

Pistocchi A, Vizcaino P, Hauck M (2009) A GIS model-based screening of potential contamination of soil and water by pyrethroids in Europe. J Environ Manage 90(11) 3410-3421... [Pg.46]

Lee JW, Jung M, Rosania GR, Chang YT (2003) Development of novel cell-permeable DNA sensitive dyes using combinatorial synthesis and cell-based screening. Chem Commun 1852-1853... [Pg.186]


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Additional Affinity Screening Methodology That Includes Mass Spectrometry-based Readout

Advantages of the Enzyme-Based Electrochemical Genosensors in Detecting Bacteria on Screen-Printed Carbon Chips

Affinity-Based Screening Methodologies and Their Application in the Hit-to-Lead Phase

Affinity-based screening methods

Based Screening Strategies

Cell-based screening

Cell-based screening technologies

Cell-based screens

Computational structure-based screening

D Ligand-Based Virtual Screening

Databases ligand-based screening

Diversity-based design, screening

Diversity-based design, screening libraries

Docking-based virtual screening

Environmental libraries activity-based screening

Example Parallel pharmacophore-based virtual screening

FACS-based screening

Flexible Protein Handling in Docking-Based Virtual Screening

Fluorescent screening, fluorescence-based

Fragment-Based Approaches in Virtual Screening

Fragment-based ligandability screens

Fragment-based screening

Fragment-based virtual screening

Function-based screening

Gene expression-based high-throughput screening

Health-Based Environmental Screening

Health-Based Environmental Screening Levels

High content screening image-based

Homology model-based virtual screening

Image-based phenotypic screen

Implementation of Cheminformatics Concepts in Structure-based Virtual Screening

Informatics-Based Cocrystal Screening

Knowledge based screen

Lead Generation Based on Compound Collection Screening

Lead discovery fragment-based screening

Ligand Based Virtual Screening (LBVS)

Ligand-based NMR screens

Ligand-based in silico screening

Ligand-based screening

Ligand-based screening techniques

Ligand-based virtual screening

Ligand-based virtual screening applications

Ligand-based virtual screening performance evaluations

Marker-based screening protocol

Microtiter plate-based screening systems

NMR-based screening

Norm-based screening

Nuclear magnetic resonance based screening methods

Nuclear magnetic resonance ligand-based screening

Parallel pharmacophore-based virtual screening

Pharmacophore-Based Parallel Screening of Natural Products

Pharmacophore-based parallel screening

Pharmacophore-based screening

Pharmacophore-based screening for novel histamine H3-receptor antagonists

Pharmacophore-based screening of compound libraries

Phenotype-based screens

Postprocessing of Pharmacophore-Based Screening Hits

Potency-based screening

Print-based manufacturing technologies screen printing

Probabilistic Ligand-based Virtual Screening Methods

Protein Flexibility in Structure-Based Virtual Screening From Models to Algorithms

Protein target-based virtual screening

QSAR-based virtual screening

Scoring screening libraries, diversity-based

Screen structure-based

Screen-based textile printing

Screening Knowledge-based

Screening automation workstation-based

Screening competition-based

Screening fluorescence-based

Screening imaging-based

Screening mass spectrometry-based

Screening methods biosensor-based

Screening methods cell-based

Screening methods reflectivity-based

Screening solution-based

Screening structure-based

Sequence-based screening methods

Shape-based virtual screening

Small yeast-based screening

Strategies Based on Screen Searching

Stress response-based screening

Structure-Based Screening Strategies

Structure-based Cheminformatics Approach to Virtual Screening The CoLiBRI Method

Structure-based in silico screening

Structure-based lead optimization high-throughput screening

Structure-based lead optimization virtual screening

Structure-based virtual screening

Structure-based virtual screening (SBVS

Structure-based virtual screening concepts

Target cell-based screening

Target-Based Virtual Screening on Small-Molecule Protein Binding Sites

Target-based screening

The Challenge of Affinity Prediction Scoring Functions for Structure-Based Virtual Screening

Virtual Screening Based on Multiple Query Compounds

Virtual screening structure-based drug design/discovery

Virtual target-based screening

Yeast-based screening

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