Synthesis of the New Chemical Marker, [Eu(DBM)3(Lap), and Design Via Molecular Docking for Use in Recognition of Candida auris Polymerase

The recent emergence of infections caused by Candida auris has raised significant global concern. Efforts to develop structure-based drugs using secondary metabolites from plant species offer promising strategies to reduce the virulence of these fungal pathogens. Lapachol, a member of the 1,4-naphthoquinone family, has shown potential as a metal complex ligand and is a candidate for such therapeutic applications. In the present study, we report the extraction of lapachol using a novel purification process from a natural source—the wood of Tabebuia impetiginosa (purple ipê)—and the synthesis of a unique complex of the type [Eu(DBM)3(Lap)]. Additionally, we present a molecular docking simulation of the synthesized lapachol-based complex, evaluating its potential as an inhibitory agent targeting Candida auris polymerase.

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Publication Details

Journal
Journal of Bioengineering, Technologies and Health
Published
2025-05-22
DOI
https://doi.org/10.34178/jbth.v8i2.475
Primary Topic
Antifungal resistance and susceptibility
Type
article
Field-Weighted Citation Impact
0.00

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article

Synthesis of the New Chemical Marker, [Eu(DBM)3(Lap), and Design Via Molecular Docking for Use in Recognition of Candida auris Polymerase

Hélcio Silva dos Santos, Edna Aparecida Faria de Almeida, Ananias Freire da Silva, Jorge Fernando Silva de Menezes et al.
Journal of Bioengineering, Technologies and Health
Antifungal resistance and susceptibility
article

Synthesis of the New Chemical Marker, [Eu(DBM)3(Lap), and Design Via Molecular Docking for Use in Recognition of Candida auris Polymerase

Hélcio Silva dos Santos, Edna Aparecida Faria de Almeida, Ananias Freire da Silva, Jorge Fernando Silva de Menezes, Andrei Marcelino Sá Pires Silva, Aluísio Marques da Fonseca, Emmanuel Silva Marinho, Levy Ribeiro de Souza Bispo
article en

Abstract

The recent emergence of infections caused by Candida auris has raised significant global concern. Efforts to develop structure-based drugs using secondary metabolites from plant species offer promising strategies to reduce the virulence of these fungal pathogens. Lapachol, a member of the 1,4-naphthoquinone family, has shown potential as a metal complex ligand and is a candidate for such therapeutic applications. In the present study, we report the extraction of lapachol using a novel purification process from a natural source—the wood of Tabebuia impetiginosa (purple ipê)—and the synthesis of a unique complex of the type [Eu(DBM)3(Lap)]. Additionally, we present a molecular docking simulation of the synthesized lapachol-based complex, evaluating its potential as an inhibitory agent targeting Candida auris polymerase.

Journal of Bioengineering, Technologies and HealthVol. 8(2)
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Conselho Nacional de Desenvolvimento Científico e Tecnológico, Fundação Cearense de Apoio ao Desenvolvimento Científico e Tecnológico
Openalex Percentile: Top 85%
Antifungal resistance and susceptibility
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