FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1980037657> ?p ?o ?g. }

• W1980037657 endingPage "328" @default.
• W1980037657 startingPage "313" @default.
• W1980037657 abstract "To performe a time-dependent topographical delineation of protein-drug interactions to gain molecular insight into the supremacy of Ortho-7 over HI-6 in reactivating tabun-conjugated mouse acetylcholinesterase (mAChE).We conducted all-atom steered molecular dynamics simulations of the two protein-drug complexes. Through a host of protein-drug interaction parameters (rupture force profiles, hydrogen bonds, water bridges, hydrophobic interactions), geometrical, and orientation ordering of the drugs, we monitored the enzyme's response during the release of the drugs from its active-site.The results show the preferential binding of the drugs with the enzyme. The pyridinium ring of HI-6 shows excellent complementary binding with the peripheral anionic site, whereas one of two identical pyridinium rings of Ortho-7 has excellent binding compatibility in the enzyme active-site where it can orchestrate the reactivation process. We found that the active pyridinium ring of HI-6 undergoes a complete turn along the active site axis, directed away from the active-site region during the course of the simulation.Due to excellent cooperative binding of Ortho-7, as rendered by several cation-pi interactions with the active-site gorge of the enzyme, Ortho-7 may be a more efficient reactivator than HI-6. Our work supports the growing body of evidence that the efficacy of the drugs is due to the differential bindings of the oximes with AChE and can aid to the rational design of oxime drugs." @default.
• W1980037657 created "2016-06-24" @default.
• W1980037657 creator A5012267330 @default.
• W1980037657 creator A5019487756 @default.
• W1980037657 creator A5065461978 @default.
• W1980037657 creator A5073463542 @default.
• W1980037657 date "2010-02-08" @default.
• W1980037657 modified "2023-10-03" @default.
• W1980037657 title "Differential binding of bispyridinium oxime drugs with acetylcholinesterase" @default.
• W1980037657 cites W1572609533 @default.
• W1980037657 cites W1577601626 @default.
• W1980037657 cites W1594749104 @default.
• W1980037657 cites W1978742626 @default.
• W1980037657 cites W1983225955 @default.
• W1980037657 cites W1987600705 @default.
• W1980037657 cites W1988715261 @default.
• W1980037657 cites W1991423560 @default.
• W1980037657 cites W2003240840 @default.
• W1980037657 cites W2003565525 @default.
• W1980037657 cites W2012616191 @default.
• W1980037657 cites W2013132270 @default.
• W1980037657 cites W2013282241 @default.
• W1980037657 cites W2015331537 @default.
• W1980037657 cites W2018919352 @default.
• W1980037657 cites W2022945133 @default.
• W1980037657 cites W2026622966 @default.
• W1980037657 cites W2027276688 @default.
• W1980037657 cites W2029999221 @default.
• W1980037657 cites W203363010 @default.
• W1980037657 cites W2034864760 @default.
• W1980037657 cites W2038600241 @default.
• W1980037657 cites W2040346940 @default.
• W1980037657 cites W2043340061 @default.
• W1980037657 cites W2043389779 @default.
• W1980037657 cites W2044239373 @default.
• W1980037657 cites W2045369042 @default.
• W1980037657 cites W2054256030 @default.
• W1980037657 cites W2054989396 @default.
• W1980037657 cites W2058203830 @default.
• W1980037657 cites W2063706707 @default.
• W1980037657 cites W2064733102 @default.
• W1980037657 cites W2066546059 @default.
• W1980037657 cites W2067174909 @default.
• W1980037657 cites W2074708047 @default.
• W1980037657 cites W2074725526 @default.
• W1980037657 cites W2077762865 @default.
• W1980037657 cites W2079539353 @default.
• W1980037657 cites W2079960443 @default.
• W1980037657 cites W2081912151 @default.
• W1980037657 cites W2095384268 @default.
• W1980037657 cites W2099598754 @default.
• W1980037657 cites W2103180169 @default.
• W1980037657 cites W2111271983 @default.
• W1980037657 cites W2112636022 @default.
• W1980037657 cites W2123768693 @default.
• W1980037657 cites W2127205401 @default.
• W1980037657 cites W2128572087 @default.
• W1980037657 cites W2136692266 @default.
• W1980037657 cites W2136846079 @default.
• W1980037657 cites W2138831277 @default.
• W1980037657 cites W2142852307 @default.
• W1980037657 cites W2149196013 @default.
• W1980037657 cites W2151313727 @default.
• W1980037657 cites W2168180954 @default.
• W1980037657 cites W2463449842 @default.
• W1980037657 doi "https://doi.org/10.1038/aps.2009.193" @default.
• W1980037657 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4002407" @default.
• W1980037657 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20140002" @default.
• W1980037657 hasPublicationYear "2010" @default.
• W1980037657 type Work @default.
• W1980037657 sameAs 1980037657 @default.
• W1980037657 citedByCount "18" @default.
• W1980037657 countsByYear W19800376572012 @default.
• W1980037657 countsByYear W19800376572013 @default.
• W1980037657 countsByYear W19800376572014 @default.
• W1980037657 countsByYear W19800376572015 @default.
• W1980037657 countsByYear W19800376572016 @default.
• W1980037657 countsByYear W19800376572017 @default.
• W1980037657 countsByYear W19800376572018 @default.
• W1980037657 countsByYear W19800376572019 @default.
• W1980037657 countsByYear W19800376572022 @default.
• W1980037657 crossrefType "journal-article" @default.
• W1980037657 hasAuthorship W1980037657A5012267330 @default.
• W1980037657 hasAuthorship W1980037657A5019487756 @default.
• W1980037657 hasAuthorship W1980037657A5065461978 @default.
• W1980037657 hasAuthorship W1980037657A5073463542 @default.
• W1980037657 hasBestOaLocation W19800376571 @default.
• W1980037657 hasConcept C107824862 @default.
• W1980037657 hasConcept C112887158 @default.
• W1980037657 hasConcept C171250308 @default.
• W1980037657 hasConcept C178790620 @default.
• W1980037657 hasConcept C181199279 @default.
• W1980037657 hasConcept C185592680 @default.
• W1980037657 hasConcept C192562407 @default.
• W1980037657 hasConcept C21951064 @default.
• W1980037657 hasConcept C2777221202 @default.
• W1980037657 hasConcept C2778816929 @default.
• W1980037657 hasConcept C2779648554 @default.

• next