Selectivity analysis of diaminopyrimidine-based inhibitors of MTHFD1, MTHFD2 and MTHFD2L

Abstract The mitochondrial enzyme methylenetetrahydrofolate dehydrogenase (MTHFD2) is involved in purine and thymidine synthesis via 1C metabolism. MTHFD2 is exclusively overexpressed in cancer cells but absent in most healthy adult human tissues. However, the two close homologs of MTHFD2 known as M...

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Hlavní autoři:	Vibhu Jha, Leif A. Eriksson
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Nature Portfolio 2024-09-01
Edice:	Scientific Reports
Témata:	Diaminopyrimidine-based inhibitors Molecular dynamics simulation Molecular docking Substrate binding site Conformational changes
On-line přístup:	https://doi.org/10.1038/s41598-024-71879-1
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