Matches in SemOpenAlex for { <https://semopenalex.org/work/W1974437722> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W1974437722 endingPage "3086" @default.
- W1974437722 startingPage "3075" @default.
- W1974437722 abstract "Ochratoxin A (OA) is a toxic isocoumarin derivative released by various species of mold which grow on grain, coffee, and nuts, representing a serious worldwide health problem. Among other mechanisms of toxicity, it has been suggested that OA inhibits phenylalanyl-tRNA synthetase (PheRS), thereby reducing protein synthesis. Using the crystal structure of PheRS from Thermusthermophilus, we have modeled its interactions with OA as well as with phenylalanyl adenylate (FAMP), the high-affinity intermediate substrate of PheRS. Our results indicate that while OA may be capable of weakly inhibiting PheRS, the OA-PheRS complex cannot adopt the same conformation as does FAMP-PheRS, contrary to previous assumptions. Relative to FAMP, the phenylalanyl moiety is found to bind more shallowly and in a different overall conformation. Free-energy perturbation calculations of the relative free energies of binding of OA with the phenolic moiety protonated versus deprotonated suggest that the protonated form binds significantly more strongly. Two alternative binding modes were also identified which cannot be discounted on the basis of these calculations. Our results, however, do not suggest binding stronger than millimolar for any of the binding modes, a conclusion which is in agreement with more recent experimental findings. This, in turn, suggests that the previously observed antagonistic effects of aspartame and piroxicam are more likely due to their prevention of OA binding to human serum albumin than to PheRS, which is in agreement with binding studies as well as with preliminary simulations performed in our laboratory." @default.
- W1974437722 created "2016-06-24" @default.
- W1974437722 creator A5000304650 @default.
- W1974437722 creator A5036750822 @default.
- W1974437722 date "1999-07-16" @default.
- W1974437722 modified "2023-09-25" @default.
- W1974437722 title "Ochratoxin Binding to Phenylalanyl-tRNA Synthetase: Computational Approach to the Mechanism of Ochratoxicosis and Its Antagonism" @default.
- W1974437722 cites W1574312817 @default.
- W1974437722 cites W1964379522 @default.
- W1974437722 cites W1966041739 @default.
- W1974437722 cites W1972496407 @default.
- W1974437722 cites W1974212746 @default.
- W1974437722 cites W1981529363 @default.
- W1974437722 cites W1984979954 @default.
- W1974437722 cites W1987700738 @default.
- W1974437722 cites W1994555489 @default.
- W1974437722 cites W2003006171 @default.
- W1974437722 cites W2009980693 @default.
- W1974437722 cites W2016505105 @default.
- W1974437722 cites W2024734780 @default.
- W1974437722 cites W2025936024 @default.
- W1974437722 cites W2026258231 @default.
- W1974437722 cites W2029473126 @default.
- W1974437722 cites W2030514238 @default.
- W1974437722 cites W2040160536 @default.
- W1974437722 cites W2042219589 @default.
- W1974437722 cites W2047730466 @default.
- W1974437722 cites W2054456861 @default.
- W1974437722 cites W2063062841 @default.
- W1974437722 cites W2065113058 @default.
- W1974437722 cites W2065379121 @default.
- W1974437722 cites W2072165486 @default.
- W1974437722 cites W2083650876 @default.
- W1974437722 cites W2083976355 @default.
- W1974437722 cites W2087028767 @default.
- W1974437722 cites W2088422066 @default.
- W1974437722 cites W2091205925 @default.
- W1974437722 cites W2091662140 @default.
- W1974437722 cites W2102537419 @default.
- W1974437722 cites W2109531864 @default.
- W1974437722 cites W2131124255 @default.
- W1974437722 cites W3080630791 @default.
- W1974437722 cites W4299790875 @default.
- W1974437722 doi "https://doi.org/10.1021/jm991040k" @default.
- W1974437722 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/10447951" @default.
- W1974437722 hasPublicationYear "1999" @default.
- W1974437722 type Work @default.
- W1974437722 sameAs 1974437722 @default.
- W1974437722 citedByCount "26" @default.
- W1974437722 countsByYear W19744377222012 @default.
- W1974437722 countsByYear W19744377222016 @default.
- W1974437722 countsByYear W19744377222018 @default.
- W1974437722 countsByYear W19744377222019 @default.
- W1974437722 countsByYear W19744377222020 @default.
- W1974437722 crossrefType "journal-article" @default.
- W1974437722 hasAuthorship W1974437722A5000304650 @default.
- W1974437722 hasAuthorship W1974437722A5036750822 @default.
- W1974437722 hasConcept C107824862 @default.
- W1974437722 hasConcept C145148216 @default.
- W1974437722 hasConcept C178790620 @default.
- W1974437722 hasConcept C185592680 @default.
- W1974437722 hasConcept C2776568683 @default.
- W1974437722 hasConcept C30095370 @default.
- W1974437722 hasConcept C55493867 @default.
- W1974437722 hasConcept C71240020 @default.
- W1974437722 hasConceptScore W1974437722C107824862 @default.
- W1974437722 hasConceptScore W1974437722C145148216 @default.
- W1974437722 hasConceptScore W1974437722C178790620 @default.
- W1974437722 hasConceptScore W1974437722C185592680 @default.
- W1974437722 hasConceptScore W1974437722C2776568683 @default.
- W1974437722 hasConceptScore W1974437722C30095370 @default.
- W1974437722 hasConceptScore W1974437722C55493867 @default.
- W1974437722 hasConceptScore W1974437722C71240020 @default.
- W1974437722 hasIssue "16" @default.
- W1974437722 hasLocation W19744377221 @default.
- W1974437722 hasLocation W19744377222 @default.
- W1974437722 hasOpenAccess W1974437722 @default.
- W1974437722 hasPrimaryLocation W19744377221 @default.
- W1974437722 hasRelatedWork W1510936823 @default.
- W1974437722 hasRelatedWork W1557407899 @default.
- W1974437722 hasRelatedWork W2034505458 @default.
- W1974437722 hasRelatedWork W2046239610 @default.
- W1974437722 hasRelatedWork W2069471410 @default.
- W1974437722 hasRelatedWork W2071506155 @default.
- W1974437722 hasRelatedWork W2342443897 @default.
- W1974437722 hasRelatedWork W2402425649 @default.
- W1974437722 hasRelatedWork W2950639335 @default.
- W1974437722 hasRelatedWork W3005352396 @default.
- W1974437722 hasVolume "42" @default.
- W1974437722 isParatext "false" @default.
- W1974437722 isRetracted "false" @default.
- W1974437722 magId "1974437722" @default.
- W1974437722 workType "article" @default.