FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2315010380> ?p ?o ?g. }

• W2315010380 endingPage "2794" @default.
• W2315010380 startingPage "2786" @default.
• W2315010380 abstract "Alzheimer’s disease (AD) is associated with the aggregation of amyloid-β (Aβ) peptides into toxic prefibrillar aggregates. Recent experiments reported that small organic molecule O4 decreases the concentration of toxic oligomers by promoting fibrillation and thus reduces Aβ toxicity. However, the atomic-level details of O4–Aβ-oligomer interaction are largely unknown. In this work, we studied the structural stability of the fibrillike Aβ(17–42) trimer by performing atomistic molecular dynamics simulations of 1.5 μs in total on the trimer with and without O4. We found that the Aβ(17–42) trimer is unstable without O4, whereas its structural stability is greatly enhanced with O4. Four binding sites were found around residues F20, S26, and M35, namely the central hydrophobic core (CHC) site, the turn site, and two hydrophobic-groove sites. The two hydrophobic grooves near M35 facilitate O4 to bind through hydrophobic interaction and geometry match. The binding of O4 at the CHC site is mostly stabilized by hydrophobic and π–π stacking interactions. Hydrogen-bonding interaction between O4 and S26 plays a role in the binding of O4 to the turn site. Our work reveals the detailed stabilization mechanism of protofibrillar Aβ oligomers by O4 and may provide novel insight into the development of drug candidates against AD." @default.
• W2315010380 created "2016-06-24" @default.
• W2315010380 creator A5007399260 @default.
• W2315010380 creator A5015199573 @default.
• W2315010380 creator A5065853944 @default.
• W2315010380 date "2015-02-09" @default.
• W2315010380 modified "2023-10-14" @default.
• W2315010380 title "Atomic-Level Study of the Effects of O4 Molecules on the Structural Properties of Protofibrillar Aβ Trimer: β-Sheet Stabilization, Salt Bridge Protection, and Binding Mechanism" @default.
• W2315010380 cites W1965023364 @default.
• W2315010380 cites W1965153954 @default.
• W2315010380 cites W1965342510 @default.
• W2315010380 cites W1967838681 @default.
• W2315010380 cites W1973479349 @default.
• W2315010380 cites W1978498560 @default.
• W2315010380 cites W1980441015 @default.
• W2315010380 cites W1980825524 @default.
• W2315010380 cites W1993548467 @default.
• W2315010380 cites W2001997902 @default.
• W2315010380 cites W2002930710 @default.
• W2315010380 cites W2007236469 @default.
• W2315010380 cites W2008708467 @default.
• W2315010380 cites W2014118668 @default.
• W2315010380 cites W2019574809 @default.
• W2315010380 cites W2022950330 @default.
• W2315010380 cites W2023973572 @default.
• W2315010380 cites W2028688489 @default.
• W2315010380 cites W2032355697 @default.
• W2315010380 cites W2036390519 @default.
• W2315010380 cites W2044597283 @default.
• W2315010380 cites W2048940684 @default.
• W2315010380 cites W2061543037 @default.
• W2315010380 cites W2065552081 @default.
• W2315010380 cites W2067174909 @default.
• W2315010380 cites W2067214887 @default.
• W2315010380 cites W2081855136 @default.
• W2315010380 cites W2093475729 @default.
• W2315010380 cites W2096410114 @default.
• W2315010380 cites W2103325328 @default.
• W2315010380 cites W2103945336 @default.
• W2315010380 cites W2104625011 @default.
• W2315010380 cites W2105631420 @default.
• W2315010380 cites W2114367386 @default.
• W2315010380 cites W2115194344 @default.
• W2315010380 cites W2115251824 @default.
• W2315010380 cites W2118280241 @default.
• W2315010380 cites W2120717592 @default.
• W2315010380 cites W2120901082 @default.
• W2315010380 cites W2122294662 @default.
• W2315010380 cites W2128572087 @default.
• W2315010380 cites W2136184967 @default.
• W2315010380 cites W2139051378 @default.
• W2315010380 cites W2142038032 @default.
• W2315010380 cites W2144288821 @default.
• W2315010380 cites W2148161164 @default.
• W2315010380 cites W2149060580 @default.
• W2315010380 cites W2155779385 @default.
• W2315010380 cites W2159879659 @default.
• W2315010380 cites W2161163255 @default.
• W2315010380 cites W2164270482 @default.
• W2315010380 cites W2166542394 @default.
• W2315010380 cites W2169152986 @default.
• W2315010380 cites W2171268876 @default.
• W2315010380 cites W2171663231 @default.
• W2315010380 cites W2320660005 @default.
• W2315010380 cites W2330416673 @default.
• W2315010380 cites W2396332735 @default.
• W2315010380 doi "https://doi.org/10.1021/jp508122t" @default.
• W2315010380 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25608630" @default.
• W2315010380 hasPublicationYear "2015" @default.
• W2315010380 type Work @default.
• W2315010380 sameAs 2315010380 @default.
• W2315010380 citedByCount "39" @default.
• W2315010380 countsByYear W23150103802015 @default.
• W2315010380 countsByYear W23150103802016 @default.
• W2315010380 countsByYear W23150103802017 @default.
• W2315010380 countsByYear W23150103802018 @default.
• W2315010380 countsByYear W23150103802019 @default.
• W2315010380 countsByYear W23150103802020 @default.
• W2315010380 countsByYear W23150103802021 @default.
• W2315010380 countsByYear W23150103802023 @default.
• W2315010380 crossrefType "journal-article" @default.
• W2315010380 hasAuthorship W2315010380A5007399260 @default.
• W2315010380 hasAuthorship W2315010380A5015199573 @default.
• W2315010380 hasAuthorship W2315010380A5065853944 @default.
• W2315010380 hasConcept C104317684 @default.
• W2315010380 hasConcept C107824862 @default.
• W2315010380 hasConcept C112887158 @default.
• W2315010380 hasConcept C143065580 @default.
• W2315010380 hasConcept C147597530 @default.
• W2315010380 hasConcept C161624437 @default.
• W2315010380 hasConcept C178790620 @default.
• W2315010380 hasConcept C185592680 @default.
• W2315010380 hasConcept C2776403692 @default.
• W2315010380 hasConcept C2779546866 @default.
• W2315010380 hasConcept C2780642029 @default.
• W2315010380 hasConcept C30765947 @default.
• W2315010380 hasConcept C32909587 @default.
• W2315010380 hasConcept C33347731 @default.

• next