Structural and Electronic Characteristics of a Series of Glycosidase Inhibitors

Title: Structural and Electronic Characteristics of a Series of Glycosidase Inhibitors

Volume: 4 Issue: 8

Author(s): R. D. Anderson and M. C. Milletti

Affiliation:

Keywords: Glycosidase inhibitors, Density functional theory, Natural charges, HOMO surface, Glucose, Nojirimycin, Aminocyclopentitols

Abstract: Molecular orbital calculations are used to determine structural and electronic characteristics of a series of sugar mimics, which are correlated with experimentally determined activity toward glycosidases. Differences in activity between α- and β-glycosidase correlate to the position of the HOMO surface of the neutral form of the inhibitor. A correlation is also found between relative activity and energy of the HOMO.

Cite this article as:

Anderson D. R. and Milletti C. M., Structural and Electronic Characteristics of a Series of Glycosidase Inhibitors, Letters in Drug Design & Discovery 2007; 4 (8) . https://dx.doi.org/10.2174/157018007782794527

DOI https://dx.doi.org/10.2174/157018007782794527	Print ISSN 1570-1808
Publisher Name Bentham Science Publisher	Online ISSN 1875-628X