High-throughput electronic biology: mining information for drug discovery

被引:63
作者
Loging, William [1 ]
Harland, Lee
Williams-Jones, Bryn
机构
[1] Pfizer Inc, Computat Biol Grp, Groton, CT 06340 USA
[2] Pfizer Ltd, eBiol Grp, Sandwich CT13 9NJ, Kent, England
[3] Pfizer Ltd, Computat Biol Grp, Sandwich CT13 9NJ, Kent, England
关键词
D O I
10.1038/nrd2265
中图分类号
Q81 [生物工程学(生物技术)]; Q93 [微生物学];
学科分类号
071005 ; 0836 ; 090102 ; 100705 ;
摘要
The vast range of in silico resources that are available in life sciences research hold much promise towards aiding the drug discovery process. To fully realize this opportunity, computational scientists must consider the practical issues of data integration and identify how best to apply these resources scientifically. In this article we describe in silico approaches that are driven towards the identification of testable laboratory hypotheses; we also address common challenges in the field. We focus on flexible, high-throughput techniques, which may be initiated independently of 'wet-lab' experimentation, and which may be applied to multiple disease areas. The utility of these approaches in drug discovery highlights the contribution that in silico techniques can make and emphasizes the need for collaboration between the areas of disease research and computational science.
引用
收藏
页码:220 / 230
页数:11
相关论文
共 85 条
[51]   Bridging chemical and biological space: "Target fishing" using 2D and 3D molecular descriptors [J].
Nettles, James H. ;
Jenkins, Jeremy L. ;
Bender, Andreas ;
Deng, Zhan ;
Davies, John W. ;
Glick, Meir .
JOURNAL OF MEDICINAL CHEMISTRY, 2006, 49 (23) :6802-6810
[52]  
Neumann Eric K, 2006, Pac Symp Biocomput, P176
[53]   Using fragment chemistry data mining and probabilistic neural networks in screening chemicals for acute toxicity to the fathead minnow [J].
Niculescu, SP ;
Atkinson, A ;
Hammond, G ;
Lewis, M .
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2004, 15 (04) :293-309
[54]   Chemical chaperones reduce ER stress and restore glucose homeostasis in a mouse model of type 2 diabetes [J].
Oezcan, Umut ;
Yilmaz, Erkan ;
Oezcan, Lale ;
Furuhashi, Masato ;
Vaillancourt, Eric ;
Smith, Ross O. ;
Goerguen, Cem Z. ;
Hotamisligil, Goekhan S. .
SCIENCE, 2006, 313 (5790) :1137-1140
[55]   Inhaled human insulin [J].
Owens, DR ;
Grimley, J ;
Kirkpatrick, P .
NATURE REVIEWS DRUG DISCOVERY, 2006, 5 (05) :371-372
[56]  
PAO M.LEE., 1989, CONCEPTS INFORM RETR
[57]   Quantitative structure-activity relationships for predicting mutagenicity and carcinogenicity [J].
Patlewicz, G ;
Rodford, R ;
Walker, JD .
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 2003, 22 (08) :1885-1893
[58]   A combined approach to data mining of textual and structured data to identify cancer-related targets [J].
Pospisil, Pavel ;
Iyer, Lakshmanan K. ;
Adelstein, S. James ;
Kassis, Amin I. .
BMC BIOINFORMATICS, 2006, 7
[59]  
Potts Steven J, 2005, Curr Drug Discov Technol, V2, P75, DOI 10.2174/1570163054064675
[60]   Top-down standards will not serve systems biology [J].
Quackenbush, J .
NATURE, 2006, 440 (7080) :24-24