FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3097029360> ?p ?o ?g. }

• W3097029360 abstract "Abstract Pharmacological inhibition of the 5-lipoxygenase (5-LOX) pathway used to inhibit leukotrienes’ production (LT) has been shown to have therapeutic properties in many respiratory and allergic diseases. Because of the toxicity effect of FDA approved orally active 5-LOX inhibitor, zileuton, the scientific community is seeking novel 5-LOX inhibitors. As a result, the significant and relevant amount of structure-activity information of 5-LOX inhibitors and its activating protein inhibitors, i.e., FLAP inhibitors, has been released and stored in public databases. To the best of our knowledge, there are no detailed analyzes of their structure-activity relationship (SAR) so far. This study has tried to locate, characterize, and extract SAR from the ChEMBL database and present them intuitively using activity landscape analysis and chemotype enrichment study. We have found eight important activity cliff generators and more than six cyclic systems with a large proportion of active molecules for each protein. These molecules can provide key information on the pharmacophoric regions that are significant to determine their potency. Therefore, they can be used for lead optimization. Besides, this study found that the smooth SAR region in the 5-LOX chemical space’s activity landscape opens up the possibility of developing robust and reliable QSAR models." @default.
• W3097029360 created "2020-11-09" @default.
• W3097029360 creator A5032365829 @default.
• W3097029360 creator A5043186420 @default.
• W3097029360 date "2020-12-01" @default.
• W3097029360 modified "2023-09-25" @default.
• W3097029360 title "Towards a systematic analysis of structure-activity relationships of 5-LOX inhibitors through activity landscape and chemotype enrichment" @default.
• W3097029360 cites W1875753880 @default.
• W3097029360 cites W1971849220 @default.
• W3097029360 cites W1983597949 @default.
• W3097029360 cites W1992156271 @default.
• W3097029360 cites W1997384637 @default.
• W3097029360 cites W2013225336 @default.
• W3097029360 cites W2022478977 @default.
• W3097029360 cites W2039609876 @default.
• W3097029360 cites W2058098454 @default.
• W3097029360 cites W2074203890 @default.
• W3097029360 cites W2075043416 @default.
• W3097029360 cites W2078295062 @default.
• W3097029360 cites W2079550144 @default.
• W3097029360 cites W2094298112 @default.
• W3097029360 cites W2096541451 @default.
• W3097029360 cites W2096864392 @default.
• W3097029360 cites W2102136911 @default.
• W3097029360 cites W2112415299 @default.
• W3097029360 cites W2118290365 @default.
• W3097029360 cites W2144073669 @default.
• W3097029360 cites W2150606034 @default.
• W3097029360 cites W2160244398 @default.
• W3097029360 cites W2164120866 @default.
• W3097029360 cites W2170795266 @default.
• W3097029360 cites W2177317049 @default.
• W3097029360 cites W2180697714 @default.
• W3097029360 cites W2283720024 @default.
• W3097029360 cites W2589221512 @default.
• W3097029360 cites W2734973925 @default.
• W3097029360 cites W2791554257 @default.
• W3097029360 cites W2802368809 @default.
• W3097029360 cites W2805839205 @default.
• W3097029360 cites W2901289687 @default.
• W3097029360 cites W2903049261 @default.
• W3097029360 cites W2954878886 @default.
• W3097029360 doi "https://doi.org/10.1016/j.chemolab.2020.104188" @default.
• W3097029360 hasPublicationYear "2020" @default.
• W3097029360 type Work @default.
• W3097029360 sameAs 3097029360 @default.
• W3097029360 citedByCount "0" @default.
• W3097029360 crossrefType "journal-article" @default.
• W3097029360 hasAuthorship W3097029360A5032365829 @default.
• W3097029360 hasAuthorship W3097029360A5043186420 @default.
• W3097029360 hasConcept C103697762 @default.
• W3097029360 hasConcept C147597530 @default.
• W3097029360 hasConcept C153784791 @default.
• W3097029360 hasConcept C164126121 @default.
• W3097029360 hasConcept C181199279 @default.
• W3097029360 hasConcept C185592680 @default.
• W3097029360 hasConcept C193042331 @default.
• W3097029360 hasConcept C202751555 @default.
• W3097029360 hasConcept C2777278459 @default.
• W3097029360 hasConcept C2778078955 @default.
• W3097029360 hasConcept C41183919 @default.
• W3097029360 hasConcept C43617362 @default.
• W3097029360 hasConcept C55493867 @default.
• W3097029360 hasConcept C63222358 @default.
• W3097029360 hasConcept C68762167 @default.
• W3097029360 hasConcept C70721500 @default.
• W3097029360 hasConcept C71240020 @default.
• W3097029360 hasConcept C74187038 @default.
• W3097029360 hasConcept C86803240 @default.
• W3097029360 hasConcept C90342290 @default.
• W3097029360 hasConcept C98274493 @default.
• W3097029360 hasConcept C99726746 @default.
• W3097029360 hasConceptScore W3097029360C103697762 @default.
• W3097029360 hasConceptScore W3097029360C147597530 @default.
• W3097029360 hasConceptScore W3097029360C153784791 @default.
• W3097029360 hasConceptScore W3097029360C164126121 @default.
• W3097029360 hasConceptScore W3097029360C181199279 @default.
• W3097029360 hasConceptScore W3097029360C185592680 @default.
• W3097029360 hasConceptScore W3097029360C193042331 @default.
• W3097029360 hasConceptScore W3097029360C202751555 @default.
• W3097029360 hasConceptScore W3097029360C2777278459 @default.
• W3097029360 hasConceptScore W3097029360C2778078955 @default.
• W3097029360 hasConceptScore W3097029360C41183919 @default.
• W3097029360 hasConceptScore W3097029360C43617362 @default.
• W3097029360 hasConceptScore W3097029360C55493867 @default.
• W3097029360 hasConceptScore W3097029360C63222358 @default.
• W3097029360 hasConceptScore W3097029360C68762167 @default.
• W3097029360 hasConceptScore W3097029360C70721500 @default.
• W3097029360 hasConceptScore W3097029360C71240020 @default.
• W3097029360 hasConceptScore W3097029360C74187038 @default.
• W3097029360 hasConceptScore W3097029360C86803240 @default.
• W3097029360 hasConceptScore W3097029360C90342290 @default.
• W3097029360 hasConceptScore W3097029360C98274493 @default.
• W3097029360 hasConceptScore W3097029360C99726746 @default.
• W3097029360 hasLocation W30970293601 @default.
• W3097029360 hasOpenAccess W3097029360 @default.
• W3097029360 hasPrimaryLocation W30970293601 @default.
• W3097029360 hasRelatedWork W14193182 @default.
• W3097029360 hasRelatedWork W2052650 @default.
• W3097029360 hasRelatedWork W25961052 @default.

• next