20190518

Source:http://linkedlifedata.com/resource/pubmed/id/20190518

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Predicate	Object
rdf:type	pubmed:Citation
lifeskim:mentions	umls-concept:C0043309, umls-concept:C0220908, umls-concept:C0678594, umls-concept:C0936012
pubmed:issue	3
pubmed:dateCreated	2010-3-1
pubmed:abstractText	The first step of FBDD is fragment-based screening (FBS). There are various analytical methods used to perform FBS: NMR, X-rays, SPR, etc. The advantage of X-ray structure analysis in FBS is that it can cope with relatively large structural changes upon the binding of a fragment and unexpected events such as multiple binding. The first thing needed to perform FBS by X-rays is a fragment library. The library currently employed at our laboratory was designed especially for X-ray structure analysis and consists of 384 compounds. This library was built based on Ro3 and special attention was given to eliminating ambiguity when interpreting electron density. FBS by X-rays requires more than 100 times more data collection and structure analysis. Recent development of critical technologies dramatically reduced the time required for X-ray structure analysis. Additionally, development of software and the incorporation of an industrial robot to a laboratory system has enabled us to construct a fully automated structure analysis system. However, there still are some limitations to X-ray structure analysis. It demands hundreds of high quality crystals and those crystals must not only survive soaking of compounds dissolved in DMSO but also be resistant to X-ray damage. In this article, a practical example of FBS by X-rays will be presented using HSP90 along with facts on the limitations of X-rays.
pubmed:language	jpn
pubmed:journal	http://linkedlifedata.com/resource/pubmed/journal/0413613
pubmed:citationSubset	IM
pubmed:status	MEDLINE
pubmed:month	Mar
pubmed:issn	0031-6903
pubmed:author	pubmed-author:YamanoAkihitoA
pubmed:issnType	Print
pubmed:volume	130
pubmed:owner	NLM
pubmed:authorsComplete	Y
pubmed:pagination	335-40
pubmed:dateRevised	2011-3-15
pubmed:meshHeading	pubmed-meshheading:20190518-Crystallography, X-Ray, pubmed-meshheading:20190518-Drug Discovery, pubmed-meshheading:20190518-Drug Evaluation, Preclinical
pubmed:year	2010
pubmed:articleTitle	[Fragment-based screening by X-ray structure analysis].
pubmed:affiliation	PharmAxess, Inc, Japan. yamano@pharmaxess.com
pubmed:publicationType	Journal Article, English Abstract, Review