Analysis of Molecular Docking and Product Structure of Recombinant Laccase Degrading Aflatoxin B1

Abstract

Abstract: In the present research, 3KW7 with the highest homology to the laccase LAC3 gene was selected as a template for homology modeling, and molecular docking was used to predict the binding mode of laccase to aflatoxin B1（AFB1）. The results showed that laccase and AFB1 can interact with hydrogen which is a key force, indicating that laccase could be used for the degradation of AFB1. The results show that with the substrate 1μg, reaction time 15 h, reaction temperature 34 ℃ and enzyme activity 2 U, the maximum degradation rate of AFB1 reaches to 91.08%. The degradation products of AFB1 were analyzed by HPLC-Q-TOF-MS. Four degradation products were detected. According to their secondary mass spectrometry information and exact molecular weight, the molecular formulas of the degradation products were postulated to be C16H22O4、C14H16N2O2、C7H12N6O and C24H30O6.

Key words: Aflatoxin B1, laccase, molecular docking, degradation products

CLC Number:

TS201.6

Ying-li LIU Bao-Guo Sun. Analysis of Molecular Docking and Product Structure of Recombinant Laccase Degrading Aflatoxin B1[J]. FOOD SCIENCE, 0, (): 0-0.

References

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