IOTA Pharmaceuticals

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IOTA Pharmaceuticals

 
Fragment - based Drug Discovery
Neglected Parasitic Disease
Glioma & Glioblastoma
 
 
IOTA Pharmaceuticals
March 14, 2013
 

IOTA scientists publish paper on virtual screening of T. brucei phosphodiesterase inhibitors

http://pubs.acs.org/doi/abs/10.1021/jm3017877
A paper by IOTA scientist David Bailey and VU collaborators, describing virtual screening of novel phosphodiesterase inhibitors has been published the J. Medicinal Chemistry. Titled “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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