Premium
Structure‐Guided Development of Selective RabGGTase Inhibitors
Author(s) -
Bon Robin S.,
Guo Zhong,
Stigter E. Anouk,
Wetzel Stefan,
Menninger Sascha,
Wolf Alexander,
Choidas Axel,
Alexandrov Kirill,
Blankenfeldt Wulf,
Goody Roger S.,
Waldmann Herbert
Publication year - 2011
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201101210
Subject(s) - virtual screening , computer science , computational biology , selectivity , ic50 , chemistry , information retrieval , drug discovery , biochemistry , biology , in vitro , catalysis
Designing for selectivity : A combination of protein crystal‐structure analysis, virtual screening, and synthetic chemistry has been used to develop noncytotoxic inhibitors of RabGGTase (IC 50 : 42 n M for the example shown; red O, blue N, yellow S) that are selective over FTase and GGTase I. Furthermore, the inhibitors display cellular activity and inhibit cancer cell proliferation.