Abstract : An analysis of in vitro human liver microsomal turnover assay results from a large dataset ( approx
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Abstract : An analysis of in vitro human liver microsomal turnover assay results from a large dataset ( approximately 75 K) of experimental compounds tested is presented. Combined with an analysis of small (lt6 Ha) substituents on known drugs and existing published results a new set of 29 substituents (consensus) is proposed to increase stability and probe SAR (an enhanced Topliss set). In addition a different group of 28 substituents are identified as unlikely to change in vitro HLM stability and a further set of compounds focuses on increasing HLM stability only.Copyright 2010 Elsevier Ltd. All rights reserved.PMID 20510621 PubMed - indexed for MEDLINEMeSH Terms SubstancesMeSH TermsBenzene Derivatives/chemistry*Cyclin-Dependent Kinase 2/antagonists amp inhibitorsCyclin-Dependent Kinase 2/metabolismDatabases FactualDrug DesignHumansMicrosomes Liver/metabolism*Models Statistical*Protein Kinase Inhibitors/chemistryReceptors CCR5/antagonists amp inhibitorsReceptors CCR5/metabolismStructure-Activity RelationshipSubstancesBenzene DerivativesProtein Kinase InhibitorsReceptors CCR5Cyclin-Dependent Kinase 2LinkOut - more resourcesFull Text SourcesElsevier ScienceEBSCOOhioLINK Electronic Journal CenterSwets Information Services Supplemental Content Related citations Final Report on Carcinogens Background Document for Styrene. Rep Carcinog Backgr Doc. 2008 Final Report on Carcinogens Background Document for Styrene.National Toxicology Program. Rep Carcinog Backgr Doc. 2008 Sep (8-5978)i-398. Final Report on Carcinogens Background Document for Formaldehyde. Rep Carcinog Backgr Doc. 2010 Final Report on Carcinogens Background Document for Formaldehyde.National Toxicology Program. Rep Carcinog Backgr Doc. 2010 Jan (10-5981)i-512. Structural pairwise comparisons of HLM stability of phenyl derivatives Introduction of the Pfizer metabolism index (PMI) and metabolism-lipophilicity efficiency (MLE). J Comput Aided Mol Des. 2009 Structural pairwise comparisons of HLM stability of phenyl derivatives Introduction of the Pfizer metabolism index (PMI) and metabolism-lipophilicity efficiency (MLE).Lewis ML Cucurull-Sanchez L. J Comput Aided Mol Des. 2009 Feb 23(2)97-103. Epub 2008 Sep 18. Review HIV co-receptor CCR5 structure and interactions with inhibitors. Infect Disord Drug Targets. 2009 Review HIV co-receptor CCR5 structure and interactions with inhibitors.Wang T Duan Y. Infect Disord Drug Targets. 2009 Jun 9(3)279-88. Review Structure-based discovery and optimization of potential cancer therapeutics targeting the cell cycle. IDrugs. 2006 Review Structure-based discovery and optimization of potential cancer therapeutics targeting the cell cycle.Thomas MP McInnes C. IDrugs. 2006 Apr 9(4)273-8. See reviews... See all... All links from this record Related Citations Calculated set of PubMed citations closely related to the selected article(s) retrieved using a word weight algorithm. Related articles are displayed in ranked order from most to least relevant with the “linked from” citation displayed first. BioAssay PubChem BioAssay experiments on the biological activities of small molecules that cite the current articles. The depositors of BioAssay data provide these references. Substance (MeSH Keyword) PubChem chemical substance (submitted) records that are classified under the same Medical Subject Headings (MeSH) controlled vocabulary as the current articles. Recent activity Clear Turn Off Turn On A statistical analysis of in vitro human microsomal metabolic stability of small... A statistical analysis of in vitro human microsomal metabolic stability of small phenyl group substituents leading to improved design sets for parallel SAR exploration of a chemical series.Bioorg Med Chem. 2010 Jun 15 18(12)4405-14. Epub 2010 Apr 29 . PubMed Your browsing activity is empty. Activity recording is turned off. Turn recording back on See more... You are here NCBI gt Literature gt PubMed Write to the Help Desk Simple NCBI Directory Getting Started NCBI Education NCBI Help Manual NCBI Handbook Training amp Tutorials Resources Chemicals amp BioassaysData amp SoftwareDNA amp RNADomains amp StructuresGenes amp ExpressionGenetics amp MedicineGenomes amp MapsHomologyLiteratureProteinsSequence AnalysisTaxonomyTraining amp TutorialsVariation Popular PubMed Nucleotide BLAST PubMed Central Gene Bookshelf Protein OMIM Genome SNP Structure Featured GenBank Reference Sequences Map Viewer Genome Projects Human Genome Mouse Genome Influenza Virus Primer-BLAST Sequence Read Archive NCBI Information About NCBI Research at NCBI NCBI Newsletter NCBI FTP Site NCBI on Facebook NCBI on Twitter NCBI on YouTube NIH DHHS USA.gov Copyright | Disclaimer | Privacy | Accessibility | Contact National Center for Biotechnology Information U.S. National Library of Medicine 8600 Rockville Pike Bethesda MD 20894 USA
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