Linked Life Data

12546556

Source:http://linkedlifedata.com/resource/pubmed/id/12546556

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
1
pubmed:dateCreated
2003-1-27
pubmed:abstractText
The differences between three different compound classes, natural products, molecules from combinatorial synthesis, and drug molecules, were investigated. The major structural differences between natural and combinatorial compounds originate mainly from properties introduced to make combinatorial synthesis more efficient. These include the number of chiral centers, the prevalence of aromatic rings, the introduction of complex ring systems, and the degree of the saturation of the molecule as well as the number and ratios of different heteroatoms. As drug molecules derive from both natural and synthetic sources, they cover a joint area in property space of natural and combinatorial compounds. A PCA-based scheme is presented that differentiates the three classes of compounds. It is suggested that by mimicking certain distribution properties of natural compounds, combinatorial products might be made that are substantially more diverse and have greater biological relevance.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:issn
0095-2338
pubmed:author
pubmed:issnType
Print
pubmed:volume
43
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
218-27
pubmed:dateRevised
2011-11-17
pubmed:meshHeading
pubmed:articleTitle
Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry.
pubmed:affiliation
SignalGene Inc., 335 Laird Road, Unit 2, Guelph, Ontario, N1G 4P7, Canada. miklos.feher@signalgene.com
pubmed:publicationType
Journal Article, Comparative Study