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J Biomol Struct Dyn ; 40(23): 12739-12749, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-34550842

RESUMO

The soybean peroxidase (SBP) mediated nanohybrid [SBP-Cu3(PO4)2·3H2O] synthesis was carried out in the present study. The scanning electron microscopy (SEM) analysis showed a characteristic flower-like hierarchical structure of the SBP-nanohybrid. The mechanism of SBP-nanohybrid formation was elucidated using computational approaches. The predicted Cu2+ binding sites followed by molecular docking studies showed the two lowest energy (-4.4 kcal/mol and -3.56 kcal/mol) Cu2+ binding sites. These two binding sites are located at the opposite position and might be involved in the formation of SBP-nanohybrid assemblies. Further, these sites are different than the catalytic active site pocket of SBP, and may facilitate more substrate catalysis. Obtained computational results were confirmed by in-vitro guaiacol oxidations studies using SBP-nanohybrid. The effect of various parameters on SBP-nanohybrid activity was studied. The pH 7.2 was found optimum for SBP-nanohybrid activity. The enzyme activity increased with an increase in temperature up to 50 °C temperature and then decreased with an increase in temperature. Around ∼138% enhanced activity was recorded using SBP-nanohybrid compared to crude SBP. Also, the SBP-nanohybrid showed around 95% decolorization of methylene blue (MB) in 1 h and the MB degradation was confirmed by high-pressure liquid chromatography analysis (HPLC).Communicated by Ramaswamy H. Sarma.


Assuntos
Glycine max , Peroxidase , Peroxidase/química , Simulação de Acoplamento Molecular , Peroxidases/metabolismo , Corantes/química
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