IOTA Pharmaceuticals

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IOTA Pharmaceuticals

 
Fragment - based Drug Discovery
Neglected Parasitic Disease
Glioma & Glioblastoma
 
 
IOTA Pharmaceuticals
October 25, 2012
 

IOTA scientists publish on fragment based drug discovery for T. brucei phosphodiesterases

http://pubs.acs.org/doi/abs/10.1021/jm301059b
A paper by IOTA scientists Anitha Shanmugham, Paul England and David Bailey, with collaborators from the VU University in Amsterdam, entitled “Catechol Pyrazolinones as Trypanocidals: Fragment-Based Design, Synthesis, and Pharmacological Evaluation of Nanomolar Inhibitors of Trypanosomal Phosphodiesterase B1” has been published in J. Medicinal Chemistry. The paper describes the discovery of novel T. brucei PDE inhibitors using a combination of T. brucei genome analysis, in silico modeling, virtual screening and fragment docking, coupled with biochemical screening for fragment efficacy. The paper illustrates the powerful synergies between design and screening in fragment-based drug discovery for neglected parasitic diseases.


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