Matches in SemOpenAlex for { <https://semopenalex.org/work/W2018087648> ?p ?o ?g. }
Showing items 1 to 83 of
83
with 100 items per page.
- W2018087648 endingPage "400" @default.
- W2018087648 startingPage "392" @default.
- W2018087648 abstract "The present work focuses on the study of the three-dimensional (3D) structural requirements for the leukotriene D(4) (LTD(4)) antagonistic activity of compounds having the basic quinolinyl(bridged)aryl framework. An approach combining pharmacophore mapping, molecule alignment, and CoMFA models was used to derive a hypothesis for a series of LTD(4) antagonists having the basic diaryl-bridged framework. In this compound series, the produced pharmacophore hypotheses have shown to yield molecule alignments suitable to derive valuable CoMFA models. Model selection focused on (1) obtention of coherent modeling results, (2) consistency with the available SAR data, and (3) ability to predict the activity of an independent set of congeneric molecules. This approach resulted in a combined pharmacophore and CoMFA model that can generally represent the antagonistic activity within a log unit of the measured value for compounds of the series. The resulting pharmacophore (model C) consists of an acidic or negative ionizable function (AC), a hydrogen-bond acceptor (HBA), and three hydrophobic regions (HY) and produces chemically meaningful alignments with the most active compounds of the series mapping the pharmacophore in a extended energetically favorable conformation." @default.
- W2018087648 created "2016-06-24" @default.
- W2018087648 creator A5022591776 @default.
- W2018087648 creator A5046414392 @default.
- W2018087648 creator A5058004598 @default.
- W2018087648 creator A5065491113 @default.
- W2018087648 creator A5090441346 @default.
- W2018087648 date "2000-01-19" @default.
- W2018087648 modified "2023-09-25" @default.
- W2018087648 title "Derivation of Pharmacophore and CoMFA Models for Leukotriene D<sub>4</sub> Receptor Antagonists of the Quinolinyl(bridged)aryl Series" @default.
- W2018087648 cites W1838899956 @default.
- W2018087648 cites W2003861094 @default.
- W2018087648 cites W2031531585 @default.
- W2018087648 cites W2037888480 @default.
- W2018087648 cites W2052080593 @default.
- W2018087648 cites W2058855186 @default.
- W2018087648 cites W2086752638 @default.
- W2018087648 cites W2092352937 @default.
- W2018087648 cites W2122329227 @default.
- W2018087648 cites W2133316188 @default.
- W2018087648 cites W2161634702 @default.
- W2018087648 cites W2162166182 @default.
- W2018087648 cites W2950776967 @default.
- W2018087648 doi "https://doi.org/10.1021/jm990387k" @default.
- W2018087648 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/10669566" @default.
- W2018087648 hasPublicationYear "2000" @default.
- W2018087648 type Work @default.
- W2018087648 sameAs 2018087648 @default.
- W2018087648 citedByCount "18" @default.
- W2018087648 countsByYear W20180876482013 @default.
- W2018087648 countsByYear W20180876482021 @default.
- W2018087648 crossrefType "journal-article" @default.
- W2018087648 hasAuthorship W2018087648A5022591776 @default.
- W2018087648 hasAuthorship W2018087648A5046414392 @default.
- W2018087648 hasAuthorship W2018087648A5058004598 @default.
- W2018087648 hasAuthorship W2018087648A5065491113 @default.
- W2018087648 hasAuthorship W2018087648A5090441346 @default.
- W2018087648 hasConcept C143724316 @default.
- W2018087648 hasConcept C151730666 @default.
- W2018087648 hasConcept C178790620 @default.
- W2018087648 hasConcept C178910836 @default.
- W2018087648 hasConcept C185592680 @default.
- W2018087648 hasConcept C21951064 @default.
- W2018087648 hasConcept C2780263894 @default.
- W2018087648 hasConcept C2781076698 @default.
- W2018087648 hasConcept C32909587 @default.
- W2018087648 hasConcept C56173144 @default.
- W2018087648 hasConcept C71240020 @default.
- W2018087648 hasConcept C86803240 @default.
- W2018087648 hasConceptScore W2018087648C143724316 @default.
- W2018087648 hasConceptScore W2018087648C151730666 @default.
- W2018087648 hasConceptScore W2018087648C178790620 @default.
- W2018087648 hasConceptScore W2018087648C178910836 @default.
- W2018087648 hasConceptScore W2018087648C185592680 @default.
- W2018087648 hasConceptScore W2018087648C21951064 @default.
- W2018087648 hasConceptScore W2018087648C2780263894 @default.
- W2018087648 hasConceptScore W2018087648C2781076698 @default.
- W2018087648 hasConceptScore W2018087648C32909587 @default.
- W2018087648 hasConceptScore W2018087648C56173144 @default.
- W2018087648 hasConceptScore W2018087648C71240020 @default.
- W2018087648 hasConceptScore W2018087648C86803240 @default.
- W2018087648 hasIssue "3" @default.
- W2018087648 hasLocation W20180876481 @default.
- W2018087648 hasLocation W20180876482 @default.
- W2018087648 hasOpenAccess W2018087648 @default.
- W2018087648 hasPrimaryLocation W20180876481 @default.
- W2018087648 hasRelatedWork W2007352684 @default.
- W2018087648 hasRelatedWork W2008209319 @default.
- W2018087648 hasRelatedWork W2027143042 @default.
- W2018087648 hasRelatedWork W2047956764 @default.
- W2018087648 hasRelatedWork W2083198657 @default.
- W2018087648 hasRelatedWork W2104354034 @default.
- W2018087648 hasRelatedWork W2417650495 @default.
- W2018087648 hasRelatedWork W2972959388 @default.
- W2018087648 hasRelatedWork W342273412 @default.
- W2018087648 hasRelatedWork W83610423 @default.
- W2018087648 hasVolume "43" @default.
- W2018087648 isParatext "false" @default.
- W2018087648 isRetracted "false" @default.
- W2018087648 magId "2018087648" @default.
- W2018087648 workType "article" @default.