Theoretical calculations on conformations of bile-acid based dimers. Interactions with ibuprofen
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Abstract
An AM1 semiempirical method (Gaussian 03) was used to perform molecular structure optimizations in gas phase of two tail-to-tail bile acid-based dimers by an isophthalic acid bridge. The method was also used to study the interactions with the potential guest ibuprofen with the idea of applicative results
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The 13th International Electronic Conference on Synthetic Organic Chemistry session Polymer and Supramolecular Chemistry
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Vázquez Tato, J.; Meijide, F.; Jover, A.; Álvarez Alcalde, M.; Antelo, Á. Theoretical calculations on conformations of bile-acid based dimers. Interactions with ibuprofen, in Proceedings of the 13th International Electronic Conference on Synthetic Organic Chemistry, 1–30 November 2009, MDPI: Basel, Switzerland, doi:10.3390/ecsoc-13-00257
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https://doi.org/10.3390/ecsoc-13-00257Sponsors
Authors thank the Ministerio de Ciencia y Tecnología (Project MAT2004-04606) and the Xunta de Galicia (PGIDIT05PXIC26201PN) for financial support
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© 2009 The author(s). Published by MDPI, Basel, Switzerland. Open Access