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IOTA Pharmaceuticals
Fragment - based Drug Discovery
GBM Drug Bank
Glioma & Glioblastoma
WINDOW on Glioblastoma
 
 
IOTA Pharmaceuticals
March 14, 2013
 

IOTA publishes paper on virtual screening of T. brucei phosphodiesterase inhibitors

http://pubs.acs.org/doi/abs/10.1021/jm3017877
A paper describing virtual screening of novel phosphodiesterase inhibitors has been published by Dr David Bailey and VU collaborators in the Journal of Medicinal Chemistry. Entitled “Discovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal Structure”, the paper underscores the importance of in silico modeling in drug discovery, not only in screening fragment libraries, but also in developing novel hits and drug scaffolds. The approach has led to the discovery of six novel T. brucei PDEB1 inhibitors.


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