Plate-based diversity subset screening: an efficient paradigm for high throughput screening of a large screening file

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• 作者：Andrew S. Bell (1) (2)
  Joseph Bradley (1) (3)
  Jeremy R. Everett (1) (4)
  Michelle Knight (1) (5)
  Jens Loesel (1) (6)
  John Mathias (1) (7)
  David McLoughlin (1) (8)
  James Mills (1) (9)
  Robert E. Sharp (10) (11)
  Christine Williams (1) (12)
  Terence P. Wood (1) (13)
  
• 关键词：Rule of 40 (Ro40) ; High throughput screening (HTS) ; Plate based ; Diversity ; Subset ; Screening file
• 刊名：Molecular Diversity
• 出版年：2013
• 出版时间：May 2013
• 年：2013
• 卷：17
• 期：2
• 页码：319-335
• 全文大小：804KB
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• 作者单位：Andrew S. Bell (1) (2)
  Joseph Bradley (1) (3)
  Jeremy R. Everett (1) (4)
  Michelle Knight (1) (5)
  Jens Loesel (1) (6)
  John Mathias (1) (7)
  David McLoughlin (1) (8)
  James Mills (1) (9)
  Robert E. Sharp (10) (11)
  Christine Williams (1) (12)
  Terence P. Wood (1) (13)
  
  1. Pfizer Worldwide Research and Development, Sandwich, Kent, UK
  2. Imperial College, London, UK
  3. Scitegrity Ltd, Discovery Park, Sandwich, Kent, UK
  4. University of Greenwich, Chatham Maritime, Kent, UK
  5. Canterbury Christchurch University, Canterbury, Kent, UK
  6. Peter Fisk Associates Limited, Canterbury, Kent, UK
  7. Pfizer Research, Cambridge, MA, USA
  8. Eli Lilly & Company, Indianapolis, IN, USA
  9. Sandexis, Canterbury, Kent, UK
  10. Pfizer Worldwide Research & Development, Groton, CT, USA
  11. Intrexon Corporation, San Carlos, CA, USA
  12. Kent and Canterbury Hospital, Canterbury, Kent, UK
  13. TP & AAW Consultancy, Cliftonville, Kent, UK
  
• ISSN：1573-501X

文摘

The screening files of many large companies, including Pfizer, have grown considerably due to internal chemistry efforts, company mergers and acquisitions, external contracted synthesis, or compound purchase schemes. In order to screen the targets of interest in a cost-effective fashion, we devised an easy-to-assemble, plate-based diversity subset (PBDS) that represents almost the entire computed chemical space of the screening file whilst comprising only a fraction of the plates in the collection. In order to create this file, we developed new design principles for the quality assessment of screening plates: the Rule of 40 (Ro40) and a plate selection process that insured excellent coverage of both library chemistry and legacy chemistry space. This paper describes the rationale, design, construction, and performance of the PBDS, that has evolved into the standard paradigm for singleton (one compound per well) high-throughput screening in Pfizer since its introduction in 2006.