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Inne
The hybrid models, containing hydrolytic and electron-driven processes, in theoretical study of oxaliplatin biotransformation.
Autorzy
Rok wydania
2020
Czasopismo
Numer woluminu
26
Strony
286/1-286/13
DOI
10.1007/s00894-020-04549-4
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
Streszczenie
The results of theoretical simulations of reaction paths for oxaliplatin from pro-drug into its active form responsible for cytostatic effect are presented. The studies based on the quantum-chemical density functional theory approach were performed considering environmental influence resulting from the aquation or electron donation. The hybrid mechanisms: hydrolytic mixed with electron driven were found to be the energetically favourable.
Słowa kluczowe
Oxaliplatin transformation, Electron-driven reactions, DFT calculations, Hybrid mechanism, Nonclassical Pt-water interactions
Adres publiczny
http://dx.doi.org/10.1007/s00894-020-04549-4
Strona internetowa wydawcy
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