In silico research in drug discovery

Trends in Pharmacological Sciences

Volumn 22, Issue 1, 2001, Pages 23-26

  Terstappen, G C ^a   Reggiani, A ^a  

^a GLAXOSMITHKLINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BLOCKING AGENT; ENZYME; ENZYME ACTIVATOR; ENZYME INHIBITOR; G PROTEIN COUPLED RECEPTOR; HORMONE RECEPTOR; ION CHANNEL;

AGONIST; AMINO ACID SEQUENCE; DRUG DESIGN; DRUG IDENTIFICATION; DRUG SCREENING; DRUG TARGETING; GENE EXPRESSION; GENE FUNCTION; GENE SEQUENCE; HUMAN; PHARMACEUTICAL ENGINEERING; PRIORITY JOURNAL; REVIEW;

COMPUTATIONAL BIOLOGY; DRUG DESIGN; GENE EXPRESSION PROFILING; GENOME, HUMAN; HUMANS; PEPTIDE LIBRARY;

EID: 0035154292     PISSN: 01656147     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0165-6147(00)01584-4     Document Type: Review

References (24)

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7. High-throughput gene expression analysis for drug discovery
8. Basic local alignment search tool
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10. Computational genetics: Finding protein function by nonhomology methods
11. Electronic PCR: Bridging the gap between genome mapping and genome sequencing
12. Screening informatics: Adding value with meta-data structures and visualization tools
13. Functional diversity of compound libraries
14. Approaches to virtual library design
15. Structure-based library design: Molecular modelling merges with combinatorial chemistry
16. Targeted molecular diversity in drug discovery: Integration of structure-based design and combinatorial chemistry
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18. Analysis of a large structure/biological activity data set using recursive partitioning
19. Diversity measures for enhancing ADME admissibility of combinatorial libraries
20. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
21. Recognizing molecules with drug-like properties
22. Hydrogen bonding. 33 factors that influence the distribution of solutes between blood and brain
23. Computational methods for the prediction of drug-likeness
24. Computer-aided prediction of drug toxicity in high throughput screening