Data di Pubblicazione:
2007
Citazione:
Design of a Focused Virtual Library
to Explore Cholera Toxin B-site / C. Podlipnik, A. Bernardi. - In: ACTA CHIMICA SLOVENICA. - ISSN 1318-0207. - 54:3(2007), pp. 425-436.
Abstract:
A virtual library of cholera toxin (CT) inhibitors has been designed. The library consists of small molecules designed to
act as decoys for the toxin’s GM1 binding site and thus to prevent binding of CT to the cell membranes of intestinal epithelial
cells. Structures of known inhibitors have been taken from different sources and in addition new inhibitors have
been developed using structure based molecular design. The information that we report here may help in further design
of more effective and metabolically stable Cholera Toxin B-site inhibitor.
Tipologia IRIS:
01 - Articolo su periodico
Keywords:
C-galactosides; Cholera toxin; GM1 gangloside; Molecular docking; Virtual screening
Elenco autori:
C. Podlipnik, A. Bernardi
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