FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3203621568> ?p ?o ?g. }

• W3203621568 endingPage "5903" @default.
• W3203621568 startingPage "5903" @default.
• W3203621568 abstract "We discovered SW033291 in a high throughput chemical screen aimed at identifying 15-prostaglandin dehydrogenase (15-PGDH) modulators. The compound exhibited inhibitory activity in in vitro biochemical and cell-based assays of 15-PGDH activity. We subsequently demonstrated that this compound, and several analogs thereof, are effective in in vivo mouse models of bone marrow transplant, colitis, and liver regeneration, where increased levels of PGE2 positively potentiate tissue regeneration. To better understand the binding of SW033291, we carried out docking studies for both the substrate, PGE2, and an inhibitor, SW033291, to 15-PGDH. Our models suggest similarities in the ways that PGE2 and SW033291 interact with key residues in the 15-PGDH-NAD+ complex. We carried out molecular dynamics simulations (MD) of SW033291 bound to this complex, in order to understand the dynamics of the binding interactions for this compound. The butyl side chain (including the sulfoxide) of SW033291 participates in crucial binding interactions that are similar to those observed for the C15-OH and the C16-C20 alkyl chain of PGE2. In addition, interactions with residues Ser138, Tyr151, and Gln148 play key roles in orienting and stabilizing SW033291 in the binding site and lead to enantioselectivity for the R-enantiomer. Finally, we compare the binding mode of (R)-S(O)-SW033291 with the binding interactions of published 15-PGDH inhibitors." @default.
• W3203621568 created "2021-10-11" @default.
• W3203621568 creator A5012155031 @default.
• W3203621568 creator A5018405150 @default.
• W3203621568 creator A5052550785 @default.
• W3203621568 creator A5055135582 @default.
• W3203621568 creator A5056347853 @default.
• W3203621568 date "2021-09-29" @default.
• W3203621568 modified "2023-10-17" @default.
• W3203621568 title "Structural Insights into Novel 15-Prostaglandin Dehydrogenase Inhibitors" @default.
• W3203621568 cites W1031578623 @default.
• W3203621568 cites W1511458172 @default.
• W3203621568 cites W1542330291 @default.
• W3203621568 cites W1849836964 @default.
• W3203621568 cites W1970270166 @default.
• W3203621568 cites W1971010231 @default.
• W3203621568 cites W1972044021 @default.
• W3203621568 cites W1973171523 @default.
• W3203621568 cites W1974399148 @default.
• W3203621568 cites W1998506498 @default.
• W3203621568 cites W2008053415 @default.
• W3203621568 cites W2008476781 @default.
• W3203621568 cites W2010355774 @default.
• W3203621568 cites W2011340077 @default.
• W3203621568 cites W2017741040 @default.
• W3203621568 cites W2022377106 @default.
• W3203621568 cites W2028391785 @default.
• W3203621568 cites W2031973145 @default.
• W3203621568 cites W2035044229 @default.
• W3203621568 cites W2037788435 @default.
• W3203621568 cites W2041379105 @default.
• W3203621568 cites W2042707934 @default.
• W3203621568 cites W2043509228 @default.
• W3203621568 cites W2049887237 @default.
• W3203621568 cites W2053227378 @default.
• W3203621568 cites W2054426074 @default.
• W3203621568 cites W2055716211 @default.
• W3203621568 cites W2061619626 @default.
• W3203621568 cites W2069010619 @default.
• W3203621568 cites W2082082125 @default.
• W3203621568 cites W2095051365 @default.
• W3203621568 cites W2102377211 @default.
• W3203621568 cites W2132094707 @default.
• W3203621568 cites W2606605591 @default.
• W3203621568 cites W2793865793 @default.
• W3203621568 cites W3131308878 @default.
• W3203621568 cites W4255677297 @default.
• W3203621568 doi "https://doi.org/10.3390/molecules26195903" @default.
• W3203621568 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8512612" @default.
• W3203621568 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34641449" @default.
• W3203621568 hasPublicationYear "2021" @default.
• W3203621568 type Work @default.
• W3203621568 sameAs 3203621568 @default.
• W3203621568 citedByCount "1" @default.
• W3203621568 countsByYear W32036215682023 @default.
• W3203621568 crossrefType "journal-article" @default.
• W3203621568 hasAuthorship W3203621568A5012155031 @default.
• W3203621568 hasAuthorship W3203621568A5018405150 @default.
• W3203621568 hasAuthorship W3203621568A5052550785 @default.
• W3203621568 hasAuthorship W3203621568A5055135582 @default.
• W3203621568 hasAuthorship W3203621568A5056347853 @default.
• W3203621568 hasBestOaLocation W32036215681 @default.
• W3203621568 hasConcept C103697762 @default.
• W3203621568 hasConcept C107824862 @default.
• W3203621568 hasConcept C150903083 @default.
• W3203621568 hasConcept C159110408 @default.
• W3203621568 hasConcept C181199279 @default.
• W3203621568 hasConcept C185592680 @default.
• W3203621568 hasConcept C207001950 @default.
• W3203621568 hasConcept C2776317432 @default.
• W3203621568 hasConcept C41685203 @default.
• W3203621568 hasConcept C55493867 @default.
• W3203621568 hasConcept C71240020 @default.
• W3203621568 hasConcept C71924100 @default.
• W3203621568 hasConcept C74187038 @default.
• W3203621568 hasConcept C75520062 @default.
• W3203621568 hasConcept C86803240 @default.
• W3203621568 hasConceptScore W3203621568C103697762 @default.
• W3203621568 hasConceptScore W3203621568C107824862 @default.
• W3203621568 hasConceptScore W3203621568C150903083 @default.
• W3203621568 hasConceptScore W3203621568C159110408 @default.
• W3203621568 hasConceptScore W3203621568C181199279 @default.
• W3203621568 hasConceptScore W3203621568C185592680 @default.
• W3203621568 hasConceptScore W3203621568C207001950 @default.
• W3203621568 hasConceptScore W3203621568C2776317432 @default.
• W3203621568 hasConceptScore W3203621568C41685203 @default.
• W3203621568 hasConceptScore W3203621568C55493867 @default.
• W3203621568 hasConceptScore W3203621568C71240020 @default.
• W3203621568 hasConceptScore W3203621568C71924100 @default.
• W3203621568 hasConceptScore W3203621568C74187038 @default.
• W3203621568 hasConceptScore W3203621568C75520062 @default.
• W3203621568 hasConceptScore W3203621568C86803240 @default.
• W3203621568 hasFunder F4320337351 @default.
• W3203621568 hasIssue "19" @default.
• W3203621568 hasLocation W32036215681 @default.
• W3203621568 hasLocation W32036215682 @default.
• W3203621568 hasLocation W32036215683 @default.
• W3203621568 hasOpenAccess W3203621568 @default.

• next