Potential transition-state analogs for glycosyltransferases. Design and DFT calculations of conformational behavior

Article ID	Journal	Published Year	Pages	File Type
10603937	Carbohydrate Research	2005	7 Pages	PDF

Abstract

The structure of a previously calculated transition state (TS) was used to design the [tetrahydro-2-(methylthio)furan-2-yl]methyl phosphate dianion (1) as a new scaffold for transition-state analogs of reactions catalyzed by the inverting glycosyltransferases.

Keywords

Transition-state analog Conformation Density functional Ab initio calculations Inhibitors glycosyltransferases

Related Topics

Physical Sciences and Engineering Chemistry Organic Chemistry

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Potential transition-state analogs for glycosyltransferases. Design and DFT calculations of conformational behavior

Authors

Michal Raab, Stanislav Kozmon, Igor TvaroÅ¡ka,