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

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

doi:10.34178/jbth.v8i2.475

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

DOI: https://doi.org/10.34178/jbth.v8i2.475

Resumo

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.