| Literature DB >> 19637873 |
Rafaela S Ferreira1, Clifford Bryant, Kenny K H Ang, James H McKerrow, Brian K Shoichet, Adam R Renslo.
Abstract
A docking screen identified reversible, noncovalent inhibitors (e.g., 1) of the parasite cysteine protease cruzain. Chemical optimization of 1 led to a series of oxadiazoles possessing interpretable SAR and potencies as much as 500-fold greater than 1. Detailed investigation of the SAR series subsequently revealed that many members of the oxadiazole class (and surprisingly also 1) act via divergent modes of inhibition (competitive or via colloidal aggregation) depending on the assay conditions employed.Entities:
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Year: 2009 PMID： 19637873 PMCID： PMC3760508 DOI： 10.1021/jm9009229
Source DB: PubMed Journal: J Med Chem ISSN： 0022-2623 Impact factor: 7.446