Matches in SemOpenAlex for { <https://semopenalex.org/work/W2136179944> ?p ?o ?g. }
Showing items 1 to 93 of
93
with 100 items per page.
- W2136179944 endingPage "49" @default.
- W2136179944 startingPage "45" @default.
- W2136179944 abstract "The (c-Jun N-terminal kinase 3) JNK3 is a potential therapeutic target for various neurological disorders. Here, a three dimensional quantitative structure-activity relationship (3D-QSAR) study on phenoxypyridine as JNK3 inhibitors was performed to rationalize the structural requirements responsible for the inhibitory activity of these compounds. The comparative molecular field analysis (CoMFA) using different partial atomic charges, was employed to understand the structural factors affecting JNK3 inhibitory potency. The Gasteiger-Marsili yielded a CoMFA model with cross-validated correlation coefficient (<TEX>$q^2$</TEX>) of 0.54 and non-cross-validated correlation coefficient (<TEX>$r^2$</TEX>) of 0.93 with five components. Furthermore, contour maps suggested that bulky substitution with oxygen atom in <TEX>$R^3$</TEX> position could enhance the activity considerably. The work suggests that further chemical modifications of the compounds could lead to enhanced activity and could assist in the design of novel JNK3 inhibitors." @default.
- W2136179944 created "2016-06-24" @default.
- W2136179944 creator A5011356718 @default.
- W2136179944 creator A5016836698 @default.
- W2136179944 creator A5044322881 @default.
- W2136179944 date "2014-03-30" @default.
- W2136179944 modified "2023-10-18" @default.
- W2136179944 title "A CoMFA Study of Phenoxypyridine-Based JNK3 Inhibitors Using Various Partial Charge Schemes" @default.
- W2136179944 cites W1594840269 @default.
- W2136179944 cites W2001240778 @default.
- W2136179944 cites W2013295552 @default.
- W2136179944 cites W2063060349 @default.
- W2136179944 cites W2065896045 @default.
- W2136179944 cites W2076485183 @default.
- W2136179944 cites W2077619255 @default.
- W2136179944 cites W2101190305 @default.
- W2136179944 cites W2104484151 @default.
- W2136179944 cites W2133801172 @default.
- W2136179944 cites W2162845412 @default.
- W2136179944 cites W2166446427 @default.
- W2136179944 doi "https://doi.org/10.13160/ricns.2014.7.1.45" @default.
- W2136179944 hasPublicationYear "2014" @default.
- W2136179944 type Work @default.
- W2136179944 sameAs 2136179944 @default.
- W2136179944 citedByCount "8" @default.
- W2136179944 countsByYear W21361799442014 @default.
- W2136179944 countsByYear W21361799442015 @default.
- W2136179944 countsByYear W21361799442016 @default.
- W2136179944 countsByYear W21361799442022 @default.
- W2136179944 crossrefType "journal-article" @default.
- W2136179944 hasAuthorship W2136179944A5011356718 @default.
- W2136179944 hasAuthorship W2136179944A5016836698 @default.
- W2136179944 hasAuthorship W2136179944A5044322881 @default.
- W2136179944 hasBestOaLocation W21361799441 @default.
- W2136179944 hasConcept C105795698 @default.
- W2136179944 hasConcept C12892243 @default.
- W2136179944 hasConcept C147597530 @default.
- W2136179944 hasConcept C164126121 @default.
- W2136179944 hasConcept C169760540 @default.
- W2136179944 hasConcept C17077164 @default.
- W2136179944 hasConcept C178790620 @default.
- W2136179944 hasConcept C185592680 @default.
- W2136179944 hasConcept C193042331 @default.
- W2136179944 hasConcept C202751555 @default.
- W2136179944 hasConcept C22354355 @default.
- W2136179944 hasConcept C2780092901 @default.
- W2136179944 hasConcept C2994492776 @default.
- W2136179944 hasConcept C32909587 @default.
- W2136179944 hasConcept C33923547 @default.
- W2136179944 hasConcept C55493867 @default.
- W2136179944 hasConcept C57992300 @default.
- W2136179944 hasConcept C71240020 @default.
- W2136179944 hasConcept C86803240 @default.
- W2136179944 hasConceptScore W2136179944C105795698 @default.
- W2136179944 hasConceptScore W2136179944C12892243 @default.
- W2136179944 hasConceptScore W2136179944C147597530 @default.
- W2136179944 hasConceptScore W2136179944C164126121 @default.
- W2136179944 hasConceptScore W2136179944C169760540 @default.
- W2136179944 hasConceptScore W2136179944C17077164 @default.
- W2136179944 hasConceptScore W2136179944C178790620 @default.
- W2136179944 hasConceptScore W2136179944C185592680 @default.
- W2136179944 hasConceptScore W2136179944C193042331 @default.
- W2136179944 hasConceptScore W2136179944C202751555 @default.
- W2136179944 hasConceptScore W2136179944C22354355 @default.
- W2136179944 hasConceptScore W2136179944C2780092901 @default.
- W2136179944 hasConceptScore W2136179944C2994492776 @default.
- W2136179944 hasConceptScore W2136179944C32909587 @default.
- W2136179944 hasConceptScore W2136179944C33923547 @default.
- W2136179944 hasConceptScore W2136179944C55493867 @default.
- W2136179944 hasConceptScore W2136179944C57992300 @default.
- W2136179944 hasConceptScore W2136179944C71240020 @default.
- W2136179944 hasConceptScore W2136179944C86803240 @default.
- W2136179944 hasIssue "1" @default.
- W2136179944 hasLocation W21361799441 @default.
- W2136179944 hasOpenAccess W2136179944 @default.
- W2136179944 hasPrimaryLocation W21361799441 @default.
- W2136179944 hasRelatedWork W1967221813 @default.
- W2136179944 hasRelatedWork W1971644060 @default.
- W2136179944 hasRelatedWork W1986935641 @default.
- W2136179944 hasRelatedWork W1990288109 @default.
- W2136179944 hasRelatedWork W1999297827 @default.
- W2136179944 hasRelatedWork W2052557796 @default.
- W2136179944 hasRelatedWork W2055334870 @default.
- W2136179944 hasRelatedWork W2072407420 @default.
- W2136179944 hasRelatedWork W2136179944 @default.
- W2136179944 hasRelatedWork W2325625482 @default.
- W2136179944 hasVolume "7" @default.
- W2136179944 isParatext "false" @default.
- W2136179944 isRetracted "false" @default.
- W2136179944 magId "2136179944" @default.
- W2136179944 workType "article" @default.