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Studies on molecular interactions of β-cyclodextrin and antiulcer agent

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Abstract

The search for the lowest energy conformation of complex {β-cyclodextrin (β-CD)+chlorambucil} were carried out by molecular mechanics method. Theoretical calculations of molecular interactions of complex were carried out using the molecular orbital method. The correlation between energy changes and molecular structures are discussed. The large interaction energies calculated by the molecular orbital method bears out the inclusion phenomenon.

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Authors and Affiliations

  1. Department of Biotechnological Science, Kinki University, Wakayama, Japan, 649-6493, 930 Nishimitani, Kinokawa-city

    Fujisawa M.

  2. Department of Chemistry, Kinki University, Higashi-osaka, Japan, 577-8502, Kowakae

    Kimura T.

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  1. Fujisawa M.
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  2. Kimura T.
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Fujisawa, M., Kimura, T. Studies on molecular interactions of β-cyclodextrin and antiulcer agent. J Therm Anal Calorim 85, 589–591 (2006). https://doi.org/10.1007/s10973-006-7656-5

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  • DOI: https://doi.org/10.1007/s10973-006-7656-5

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