Increasing the efficiency of small-molecule drug discovery

Drug Discovery Today

Volumn 8, Issue 18, 2003, Pages 823-826

  Bunin, Barry A ^a  

^a Libraria   (United States)

Author keywords

Biotechnology; Computational approaches; Discovery; Drug Discovery; Screening; Small molecule; Techniques Methods

Indexed keywords

ACCELERATION; ACCURACY; ACYLATION; ALGORITHM; BIOASSAY; BIOAVAILABILITY; BIODIVERSITY; BIOTECHNOLOGY; BIOTRANSFORMATION; CALCULATION; CHEMICAL REACTION; COST EFFECTIVENESS ANALYSIS; DRUG DEVELOPMENT; DRUG INDUSTRY; DRUG SCREENING; DRUG SYNTHESIS; HUMAN; MEDICAL INFORMATION; MEDICAL RESEARCH; MULTIGENE FAMILY; NONHUMAN; PHYSICAL CHEMISTRY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REDUCTION; REVIEW; STATISTICAL ANALYSIS; VALIDATION PROCESS;

EID: 0042330323     PISSN: 13596446     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1359-6446(03)02747-8     Document Type: Short Survey

References (13)

1. Owens J. Chris Lipinski Discusses Life and Chemistry After the Rule of Five. Drug Discov. Today. 8:2003;12-16.
2. Lipinski C.A., et al. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv. Rev. 46:2001;3-26.
3. Barnum D., et al. Identification of Common Functional Configuration Among Molecules. J. Chem. Inf. Comput. Sci. 36:1996;563-571.
4. Greene J., et al. Chemical Function Queries for 3D Database Search. J. Chem. Inf. Comput. Sci. 34:1994;1297-1308.
5. Cramer R.D. III, et al. Comparative Molecular Field Analysis (CoMFA), 1. Effect of Shape on Binding of Steroids to Carrier Proteins. J. Am. Chem. Soc. 110:1998;5959-5967.
6. McGregor M.J., Muskal S.M. Pharmacophore Fingerprinting. 1. Application to QSAR and Focused Library Design. J. Chem. Inf. Comput. Sci. 39:1999;569-574.
7. Matter H. Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors. J. Med. Chem. 40:1997;1219.
8. Bohm H.J., Stahl M. Structure-Based Library Design: Molecular Modelling Merges with Combinatorial Chemistry. Curr Opin Chem Biol. 4:2000;283-286.
9. Joseph-McCarthy D. Computational Approaches to Structure-Based Ligand Design. Pharmacol Ther. 84:1999;179-191.
10. Diller D.J., Merz K.M. Jr. High Throughput Docking for Library Design and Library Prioritization. Proteins. 43:2001;113-124.
11. Schneider G., et al. Scaffold-Hopping' by Topological Pharmacophore Search: A Contribution to Virtual Screening. Angew. Chem. Int. Ed. 38:1999;2894-2896.
12. Naerum L., et al. Scaffold Hopping and Optimization towards Libraries of Glycogen Synthase Kinase-3 Inhibitors. Bioorg. Med. Chem. Lett. 12:2002;1525-1528.
13. Schneider G., et al. Integrating Virtual Screening Methods to the Quest for Novel Membrane Protein Ligands. Curr. Med. Chem. - Central Nervous System Agents. 1:2001;99-112.