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PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
5
pubmed:dateCreated
2011-5-27
pubmed:abstractText
Microbial culture extracts are used for natural products screening in the drug lead discovery process. An extract of a microbial culture is a complex mixture of organic compounds, making it difficult to evaluate the diversity and redundancy of the compounds. However, having a diverse extract library is a key to success in generating a lead for drug discovery. We have developed a high-throughput and robust LC-MS analysis and data processing method for visualizing sample profile and diversity. In the LC-MS analysis of 16?025 microbial culture extracts, positive and negative ions were acquired simultaneously with an electrospray ionization source. The raw data were processed using ACD IntelliXtract, and peak lists of each extract were generated and stored in the database. The peak list data were binned by nominal mass (m/z 150-1350) and retention time. How frequently the binned peaks, termed peak identifiers, appeared in the extracts library was calculated, and these data were visualized by scattered plots in Spotfire. From 4 to 115 peaks were observed in each sample. As it is easy to eliminate the ubiquitous peaks shown in most samples and simplify the plots, the unique or redundant compounds could be detected.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
May
pubmed:issn
1520-6025
pubmed:author
pubmed:issnType
Electronic
pubmed:day
27
pubmed:volume
74
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
983-8
pubmed:dateRevised
2011-11-17
pubmed:meshHeading
pubmed:year
2011
pubmed:articleTitle
High-throughput profiling of microbial extracts.
pubmed:affiliation
Discovery Science & Technology Department, Chugai Pharmaceutical Co., Ltd., 200 Kajiwara, Kamakura, Kanagawa 247-8530 Japan. itotty@chugai-pharm.co.jp
pubmed:publicationType
Journal Article