Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures
Journal Article
·
· Bioorg. Med. Chem. Lett.
- Sanofi
Amino-benzoic acid derivatives 1-4 were found to be inhibitors for DHODH by virtual screening, biochemical, and X-ray crystallographic studies. X-ray structures showed that 1 and 2 bind to DHODH as predicted by virtual screening, but 3 and 4 were found to be structurally different from the corresponding compounds initially identified by virtual screening.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 1002828
- Journal Information:
- Bioorg. Med. Chem. Lett., Vol. 20, Issue (6) ; 03, 2010; ISSN 0960-894X
- Country of Publication:
- United States
- Language:
- ENGLISH
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