FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2797441036> ?p ?o ?g. }

• W2797441036 endingPage "1767" @default.
• W2797441036 startingPage "1757" @default.
• W2797441036 abstract "Using the recently reported cryo-EM structure for the tau fibril [Fitzpatrick et al. (2017) Nature 547, 185–190], which is a potential target concerning Alzheimer’s disease, we present the first molecular modeling studies on its interaction with various positron emission tomography (PET) tracers. Experimentally, based on the binding assay studies, at least three different high-affinity binding sites have been reported for tracers in the tau fibril. Herein, through integrated modeling using molecular docking, molecular dynamics, and binding free energy calculations, we provide insight into the binding patterns of various tracers to the tau fibril. We suggest that there are four different high-affinity binding sites available for many of the studied tracers showing varying binding affinity to different binding sites. Thus, PBB3 binds most strongly to site 4, and interestingly, this site is not a preferable site for any other tracers. For THK5351, our data show that it strongly binds to sites 3 and 1, the former one being more preferable. We also find that MK6240 and T807 bind to site 1 specifically. The modeling data also give some insight into whether a tracer bound to a specific site can be replaced by others or not. For example, the displacement of T807 by PBB3 as reported experimentally can also be explained and attributed to the larger binding affinity of the latter compound in all binding sites. The binding free energy results explain very well the small binding affinity of THK523 compared to all the aryl quinoline moieties containing THK tracers. The ability of certain tau tracers, like FDDNP and THK523, to bind to amyloid fibrils has also been investigated. Furthermore, such off-target interaction of tau tracers with amyloid beta fibrils has been validated using a quantum mechanical fragmentation approach." @default.
• W2797441036 created "2018-04-24" @default.
• W2797441036 creator A5001779926 @default.
• W2797441036 creator A5053665869 @default.
• W2797441036 creator A5089411086 @default.
• W2797441036 date "2018-04-09" @default.
• W2797441036 modified "2023-10-06" @default.
• W2797441036 title "Different Positron Emission Tomography Tau Tracers Bind to Multiple Binding Sites on the Tau Fibril: Insight from Computational Modeling" @default.
• W2797441036 cites W1844519646 @default.
• W2797441036 cites W1963621877 @default.
• W2797441036 cites W1968984443 @default.
• W2797441036 cites W1974444040 @default.
• W2797441036 cites W1975580333 @default.
• W2797441036 cites W1980604282 @default.
• W2797441036 cites W2001014236 @default.
• W2797441036 cites W2009870816 @default.
• W2797441036 cites W2013146608 @default.
• W2797441036 cites W2016630460 @default.
• W2797441036 cites W2028682587 @default.
• W2797441036 cites W2029667189 @default.
• W2797441036 cites W2034286717 @default.
• W2797441036 cites W2035266068 @default.
• W2797441036 cites W2035312836 @default.
• W2797441036 cites W2035687084 @default.
• W2797441036 cites W2044731489 @default.
• W2797441036 cites W2049535318 @default.
• W2797441036 cites W2053116497 @default.
• W2797441036 cites W2059516728 @default.
• W2797441036 cites W2060446879 @default.
• W2797441036 cites W2082313481 @default.
• W2797441036 cites W2090523774 @default.
• W2797441036 cites W2094508473 @default.
• W2797441036 cites W2100442068 @default.
• W2797441036 cites W2106140689 @default.
• W2797441036 cites W2117029279 @default.
• W2797441036 cites W2119823987 @default.
• W2797441036 cites W2122294662 @default.
• W2797441036 cites W2147993766 @default.
• W2797441036 cites W2151334055 @default.
• W2797441036 cites W2156887624 @default.
• W2797441036 cites W2166542394 @default.
• W2797441036 cites W2172650616 @default.
• W2797441036 cites W2176065516 @default.
• W2797441036 cites W2219920450 @default.
• W2797441036 cites W2323149350 @default.
• W2797441036 cites W2325904293 @default.
• W2797441036 cites W2335804930 @default.
• W2797441036 cites W2337557746 @default.
• W2797441036 cites W2346788552 @default.
• W2797441036 cites W2354811668 @default.
• W2797441036 cites W2410914926 @default.
• W2797441036 cites W2510461788 @default.
• W2797441036 cites W2512139899 @default.
• W2797441036 cites W2528917098 @default.
• W2797441036 cites W2579510648 @default.
• W2797441036 cites W2590870875 @default.
• W2797441036 cites W2727929522 @default.
• W2797441036 cites W2753798033 @default.
• W2797441036 cites W2753860285 @default.
• W2797441036 cites W2771289670 @default.
• W2797441036 doi "https://doi.org/10.1021/acschemneuro.8b00093" @default.
• W2797441036 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29630333" @default.
• W2797441036 hasPublicationYear "2018" @default.
• W2797441036 type Work @default.
• W2797441036 sameAs 2797441036 @default.
• W2797441036 citedByCount "66" @default.
• W2797441036 countsByYear W27974410362018 @default.
• W2797441036 countsByYear W27974410362019 @default.
• W2797441036 countsByYear W27974410362020 @default.
• W2797441036 countsByYear W27974410362021 @default.
• W2797441036 countsByYear W27974410362022 @default.
• W2797441036 countsByYear W27974410362023 @default.
• W2797441036 crossrefType "journal-article" @default.
• W2797441036 hasAuthorship W2797441036A5001779926 @default.
• W2797441036 hasAuthorship W2797441036A5053665869 @default.
• W2797441036 hasAuthorship W2797441036A5089411086 @default.
• W2797441036 hasBestOaLocation W27974410361 @default.
• W2797441036 hasConcept C107824862 @default.
• W2797441036 hasConcept C121332964 @default.
• W2797441036 hasConcept C12554922 @default.
• W2797441036 hasConcept C147597530 @default.
• W2797441036 hasConcept C159110408 @default.
• W2797441036 hasConcept C170493617 @default.
• W2797441036 hasConcept C178910836 @default.
• W2797441036 hasConcept C185544564 @default.
• W2797441036 hasConcept C185592680 @default.
• W2797441036 hasConcept C27523624 @default.
• W2797441036 hasConcept C41685203 @default.
• W2797441036 hasConcept C55493867 @default.
• W2797441036 hasConcept C59593255 @default.
• W2797441036 hasConcept C60592354 @default.
• W2797441036 hasConcept C71240020 @default.
• W2797441036 hasConcept C71924100 @default.
• W2797441036 hasConcept C86803240 @default.
• W2797441036 hasConcept C93282013 @default.
• W2797441036 hasConceptScore W2797441036C107824862 @default.
• W2797441036 hasConceptScore W2797441036C121332964 @default.
• W2797441036 hasConceptScore W2797441036C12554922 @default.

• next