期刊
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
卷 66, 期 -, 页码 1334-1340出版社
WILEY-BLACKWELL
DOI: 10.1107/S0907444910040886
关键词
antifolates; cyromazine; Leishmania; pemetrexed; pterin; trimetrexate; Trypanosoma
资金
- Wellcome Trust [WT082596, WT083481]
- Biotechnology and Biological Sciences Research Council [BBS/B/14434]
- Biotechnology and Biological Sciences Research Council [BBS/B/14434] Funding Source: researchfish
Pteridine reductase (PTR1) is a potential target for drug development against parasitic Trypanosoma and Leishmania species. These protozoa cause serious diseases for which current therapies are inadequate. High-resolution structures have been determined, using data between 1.6 and 1.1 A resolution, of T. brucei PTR1 in complex with pemetrexed, trimetrexate, cyromazine and a 2,4-diaminopyrimidine derivative. The structures provide insight into the interactions formed by new molecular entities in the enzyme active site with ligands that represent lead compounds for structure-based inhibitor development and to support early-stage drug discovery.
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