In:
Molecules, MDPI AG, Vol. 24, No. 7 ( 2019-04-03), p. 1322-
Abstract:
Structure-based design and synthesis of two biphenyl-N-acyl-β-d-glucopyranosylamine derivatives as well as their assessment as inhibitors of human liver glycogen phosphorylase (hlGPa, a pharmaceutical target for type 2 diabetes) is presented. X-ray crystallography revealed the importance of structural water molecules and that the inhibitory efficacy correlates with the degree of disturbance caused by the inhibitor binding to a loop crucial for the catalytic mechanism. The in silico-derived models of the binding mode generated during the design process corresponded very well with the crystallographic data.
Type of Medium:
Online Resource
ISSN:
1420-3049
DOI:
10.3390/molecules24071322
Language:
English
Publisher:
MDPI AG
Publication Date:
2019
detail.hit.zdb_id:
2008644-1