Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening
Journal Article
·
· Bioorg. Med. Chem. Lett.
Biochemical and X-ray crystallographic studies confirmed that hydroxyquinoline derivatives identified by virtual screening were actually covalent inhibitors of the MIF tautomerase. Adducts were formed by N-alkylation of the Pro-1 at the catalytic site with a loss of an amino group of the inhibitor.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 1006197
- Journal Information:
- Bioorg. Med. Chem. Lett., Vol. 19, Issue (23) ; 12, 2009; ISSN 0960-894X
- Country of Publication:
- United States
- Language:
- ENGLISH
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