Semiempirical AM1 and ab initio parameters of the lethal cyclopeptides α-amanitin and its related thioether, S-sulphoxide, sulphone, and o-methyl derivative

The electronic structures and conformational analysis of the toxic cyclopeptides, α-amanitin (I), O-methyl-α-amanitin (II), S-deoxo-α-amanitin (III), α-amanitin-(S)-sulphoxide (IV) and α-amanitin sulphone (V) were obtained for the first time from molecular parameters on the basis of AM1 and ab initi...

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Detalles Bibliográficos
Autores principales: Pomilio, A.B., Battista, M.E., Vitale, A.A.
Formato: JOUR
Materias:
α-amanitin
α-amanitin sulphone
α-amanitin-(S)-sulphoxide
AM1 and ab initio studies
O-methyl-α-amanitin
S-deoxo-α-amanit in
alpha amanitin
alpha amanitin sulfone
alpha amanitin sulfoxide
amanitin
deoxo alpha amanitin
o methyl alpha amanitin
unclassified drug
Amanita phalloides
article
conformation
dipole
geometry
mathematical computing
stereochemistry
structure analysis
toxin analysis
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_01661280_v536_n2-3_p243_Pomilio
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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