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Force Field Parameters for Fe(2+)(4)S(2−)(4) Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies

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 ele...

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Detalles Bibliográficos
Autores principales:	Tendwa, Maureen Bilinga, Chebon-Bore, Lorna, Lobb, Kevin, Musyoka, Thommas Mutemi, Tastan Bishop, Özlem
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8156676/ https://www.ncbi.nlm.nih.gov/pubmed/34069161 http://dx.doi.org/10.3390/molecules26102929

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