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Proteins ; 89(9): 1180-1192, 2021 09.
Artigo em Inglês | MEDLINE | ID: mdl-33969540

RESUMO

Tyrosinases (EC 1.14.18.1) are type-3 copper metalloenzymes with strong oxidative capacities and low allosteric selectivity to phenolic and non-phenolic aromatic compounds, which have been used as biosensors and biocatalysts to mitigate the impacts of environmental contaminants over aquatic ecosystems. However, the widespread use of these polyphenol oxidases is limited by elevated production costs and restricted knowledge on their spectrum of action. Here, six tyrosinase homologs were identified and characterized from the genomes of four widespread freshwater ciliates using bioinformatics. Next, we performed a virtual screening to calculate binding energies between 3D models of these homologs and ~ 1000 contaminants of emerging concern (CECs), as an indirect approach to identify likely and unlikely targets for tyrosinases. Many fine chemicals, pharmaceuticals, personal care products, illicit drugs, natural toxins, and pesticides exhibited strong binding energies to these new tyrosinases, suggesting the spectrum of targets of these enzymes might be considerably broader than previously thought. Many ciliates, including those carrying tyrosinase genes, are fast-growing unicellular microeukaryotes that can be efficiently cultured, at large scales, under in vitro conditions, suggesting these organisms should be regarded as potential low-cost sources of new environmental biotechnological molecules.


Assuntos
Antibacterianos/metabolismo , Cilióforos/enzimologia , Monofenol Mono-Oxigenase/metabolismo , Praguicidas/metabolismo , Proteínas de Protozoários/metabolismo , Poluentes Químicos da Água/metabolismo , Antibacterianos/química , Sítios de Ligação , Cilióforos/química , Cilióforos/genética , Cristalografia por Raios X , Recuperação e Remediação Ambiental , Água Doce/química , Expressão Gênica , Humanos , Simulação de Acoplamento Molecular , Monofenol Mono-Oxigenase/química , Monofenol Mono-Oxigenase/genética , Praguicidas/química , Filogenia , Ligação Proteica , Conformação Proteica em alfa-Hélice , Conformação Proteica em Folha beta , Domínios e Motivos de Interação entre Proteínas , Estrutura Terciária de Proteína , Proteínas de Protozoários/química , Proteínas de Protozoários/genética , Especificidade por Substrato , Termodinâmica , Poluentes Químicos da Água/química
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