Identification of Novel Potential Inhibitors of Pteridine Reductase 1 in Trypanosoma brucei via Computational Structure-Based Approaches and in Vitro Inhibition Assays

Identification of Novel Potential Inhibitors of Pteridine Reductase 1 in Trypanosoma brucei via Computational Structure-Based Approaches and in Vitro Inhibition Assays

Pteridine reductase 1 (PTR1) is a trypanosomatid multifunctional enzyme that provides a mechanism for escape of dihydrofolate reductase (DHFR) inhibition. This is because PTR1 can reduce pterins and folates. Trypanosomes require folates and pterins for survival and are unable to synthesize them de n...

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Bibliographic Details
Main Authors: Magambo Phillip Kimuda, Dustin Laming, Heinrich C. Hoppe, Özlem Tastan Bishop
Format: Article
Language:English
Published: MDPI AG 2019-01-01
Series:Molecules
Subjects:
Human African Trypanosomiasis
pteridine reductase 1
PTR1
DHFR
anti-folates
anti-trypanosomal agents
molecular dynamics
dynamic residue network analysis
binding free energy
isobologram assay
Online Access:http://www.mdpi.com/1420-3049/24/1/142

Internet

http://www.mdpi.com/1420-3049/24/1/142

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