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Force field parameters for Fe <sup>2+</sup> <sub>4</sub> S <sup>2-</sup> <sub>4</sub> clusters of dihydropyrimidine dehydrogenase, the 5-fluorouracil cancer drug deactivation protein: a step towards <i>in silico</i> pharmacogenomics studies

2021-04-21

Abstract excerpt

The dimeric dihydropyrimidine dehydrogenase (DPD) metalloenzyme, an adjunct anti-cancer drug target contains highly specialized 4 × Fe 2+ 4 S 2- 4 clusters per chain. These clusters facilitate the catalysis of the rate-limiting step in the pyrimidine degradation pathway through a harmonized electron transfer cascade that triggers a redox catabolic reaction. In the process, majority of administered 5-fluorouracil...

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Literature Corpus work
814c1ce4-ccb3-5b7b-8725-6c7228c9961a
DOI
10.1101/2021.04.20.440516
Open publication

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Force field parameters for Fe <sup>2+</sup> <sub>4</sub> S <sup>2-</sup> <sub>4</sub> clusters of dihydropyrimidine dehydrogenase, the 5-fluorouracil cancer drug deactivation protein: a step towards <i>in silico</i> pharmacogenomics studiesDOI 10.1101/2021.04.20.440516
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