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Efficient and Accurate Characterization of the Bergman Cyclization for Several Enediynes Including an Expanded Substructure of Esperamicin A(1)

Incorporation of enediynes into anticancer drugs remains an intriguing yet elusive strategy for the design of therapeutically active agents. Density functional theory was used to locate reactants, products, and transition states along the Bergman cyclization pathways connecting enediynes to reactive...

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Detalhes bibliográficos
Main Authors: Sherer, Edward C., Kirschner, Karl N., Pickard, Frank C., Rein, Chantelle, Feldgus, Steven, Shields, George C.
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2854586/
https://ncbi.nlm.nih.gov/pubmed/19053814
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp807341t
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