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A group of 39 structures with local anesthetic activity has been classified automatically by calculating similarity or dissimilarity coefficients between pairs of structure diagrams and applying cluster analysis to the results. The performance of a number of similarity and dissimilarity coefficients has been compared using the relationship between structure… (More)
The pyranose scaffold is unique in its ability to position pharmacophore substituents in various ways in 3D space, and unique pharmacophore scanning libraries could be envisaged that focus on scanning topography rather than diversity in the type of substituents. Approaches have been described that make use of amine and acid functionalities on the pyranose… (More)
A method of substructural analysis for structure-property correlation of data sets including heterocyclic structures is described. Structural features allowing representation of occurrence and position of heteroatoms, ring fusions, and substituents are derived automatically from Wiswesser Line Notation representations. Structural feature sets of varying… (More)
The rapid rise of multi-drug-resistant bacteria is a global healthcare crisis, and new antibiotics are urgently required, especially those with modes of action that have low-resistance potential. One promising lead is the liposaccharide antibiotic moenomycin that inhibits bacterial glycosyltransferases, which are essential for peptidoglycan polymerization,… (More)
Developments in imaging offer real-time visualisation of biological processes at the cellular and molecular level. This article considers how micro- and nanotechnology may enhance the application of optical imaging for in vivo and in vitro diagnostics.