About: Fragment-Based Screening by Protein Crystallography: Successes and Pitfalls

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Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Fragment-Based Screening by Protein Crystallography: Successes and Pitfalls
Creator	Chilingaryan, Zorik Yin, Zhou Oakley, Aaron
Source	Medline; PMC
abstract	Fragment-based drug discovery (FBDD) concerns the screening of low-molecular weight compounds against macromolecular targets of clinical relevance. These compounds act as starting points for the development of drugs. FBDD has evolved and grown in popularity over the past 15 years. In this paper, the rationale and technology behind the use of X-ray crystallography in fragment based screening (FBS) will be described, including fragment library design and use of synchrotron radiation and robotics for high-throughput X-ray data collection. Some recent uses of crystallography in FBS will be described in detail, including interrogation of the drug targets β-secretase, phenylethanolamine N-methyltransferase, phosphodiesterase 4A and Hsp90. These examples provide illustrations of projects where crystallography is straightforward or difficult, and where other screening methods can help overcome the limitations of crystallography necessitated by diffraction quality.
has issue date	2012-10-08(xsd:dateTime)
bibo:doi	10.3390/ijms131012857
bibo:pmid	23202926
has license	cc-by
sha1sum (hex)	e42f45097fff6577e1ba2da76661b56f7bff299a
schema:url	https://doi.org/10.3390/ijms131012857
resource representing a document's title	Fragment-Based Screening by Protein Crystallography: Successes and Pitfalls
has PubMed Central identifier	PMC3497300
has PubMed identifier	23202926
schema:publication	Int J Mol Sci
resource representing a document's body	covid:e42f45097fff6577e1ba2da76661b56f7bff299a#body_text
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