| Chemical and biological properties of frequent screening hits. | |
| | |
MedLine Citation:
|
PMID: 22435989 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
|
High throughput screening (HTS) has become an important technology for the drug discovery process. It has been noted that certain compounds frequently appear as hits in many screening campaigns. By data mining an HTS database covering large chemical space and diverse biological functions, we identified many novel chemical features, as well as several biological processes that were associated with a significant portion of frequent hits. However, we also noted that several marketed drugs also contained characteristics that commonly were associated with frequent hits. This observation suggested that current generally employed strategies for triaging compounds may result in the removal of compounds with desirable properties. Therefore, we developed a novel strategy that overlaid chemical scaffolds, biological processes, along with empirical hit frequency data, in order to provide a more functional frequent hit triage strategy; the risk of removing biologically-relevant frequent hits was reduced compared to the typical empirical hit frequency-based filtering strategy. |
| | |
Authors:
|
Jianwei Che; Frederick King; Bin Zhou; Yingyao Zhou |
Related Documents
:
|
902829 - Systemic retinoid therapy of systematized verrucous epidermal nevus (with 1 colour plate). 18416939 - Effects of morin on the pharmacokinetics of nicardipine after oral and intravenous admi... 10984739 - Studies on concentration-time profiles of nimodipine enantiomers following intravenous ... 7933299 - Experimental infections of eimeria wapiti and e. zuernii-like oocysts in rocky mountain... 11392449 - Oral delivery of taxanes. 7830099 - Study of lymphotropic targeting and macrofilaricidal activity of a melphalan prodrug on... 1774179 - Flunarizine in migraine prophylaxis: an indian trial. 11378939 - A study of the technologically modified sources of 222rn and its environmental impact i... 18281119 - Temoporfin-loaded invasomes: development, characterization and in vitro skin penetratio... |
Publication Detail:
|
Type: JOURNAL ARTICLE Date: 2012-3-21 |
Journal Detail:
|
Title: Journal of chemical information and modeling Volume: - ISSN: 1549-960X ISO Abbreviation: - Publication Date: 2012 Mar |
Date Detail:
|
Created Date: 2012-3-22 Completed Date: - Revised Date: - |
Medline Journal Info:
|
Nlm Unique ID: 101230060 Medline TA: J Chem Inf Model Country: - |
Other Details:
|
Languages: ENG Pagination: - Citation Subset: - |
Export Citation:
|
APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
|
|
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Previous Document: Nonsuicidal Self-Injury and Gender: Patterns of Prevalence, Methods, and Locations among Adolescents...
Next Document: A transient expression assay for the in planta efficacy screening of an antimicrobial peptide agains...