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Article

Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracis.

European journal of medicinal chemistry - 16 Feb 2015

Giacoppo Juliana O S, Mancini Daiana T, Guimarães Ana P, Gonçalves Arlan S, da Cunha Elaine F F, França Tanos C C, Ramalho Teodorico C

Abstract excerpt

In the present work, we applied docking and molecular dynamics techniques to study 11 compounds inside the enzymes dihydrofolate reductase (DHFR) from the biological warfare agent Bacillus anthracis (BaDHFR) and Homo sapiens sapiens (HssDHFR). Six of these compounds were selected for a study with the mutant BaF96IDHFR. Our results corroborated with experimental data and allowed the proposition of a new molecule...

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Source

Identifiers

PMID: 24985033
DOI: 10.1016/j.ejmech.2014.06.025

Genes

DHFR

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 6 Sept 2026. Manifest publication-graph-cohort-2026-09-06.1.

Source receipt: pubmed, retrieved 6 Sept 2026.

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