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Antidiabetic Bis-Maltolato-OxoVanadium(IV): Conversion of inactive trans- to bioactive cis-BMOV for possible binding to target PTP-1B
The postulated transition of Bis-Maltolato-OxoVanadium(IV) (BMOV) from its inactive trans- into its cis-aquo-BMOV isomeric form in solution was simulated by means of computational molecular modeling. The rotational barrier was calculated with DFT – B3LYP under a stepwise optimization protocol with S...
Autores principales: | Scior, Thomas, Mack, Hans-Georg, García, José Antonio Guevara, Koch, Wolfhard |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
Dove Medical Press
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2761195/ https://www.ncbi.nlm.nih.gov/pubmed/19920909 |
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