New insights into searching patulin degrading enzymes in Saccharomyces cerevisiae through proteomic and molecular docking analysis

Yang, Chao; Zhang, Zhuo; Peng, Bangzhu

doi:10.1016/j.jhazmat.2023.132806

Cited by 19 publications

(4 citation statements)

References 74 publications

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“…In a recent report, molecular docking was utilized to screen for degrading enzymes to patulin (mycotoxin), where 18 proteins were tested to degrade this toxin. YKL069W exhibited the maximum binding affinity to this toxin, where 10 μg/mL of toxin were completely degraded by the purified YKL069W through 48 h. The degradation process was confirmed via molecular dynamics simulations with a BFE of -7.5 kcal/mol (Yang et al 2024).…”

Section: Degrade Afb1mentioning

confidence: 71%

“…Although, Yang et al (2024) mentioned the activity of Saccharomyces cerevisiae enzymes to degrade the toxin of patulin, however, they stated that the degradation mechanism remains unclear. Degradation mechanisms were reported in some investigations, for instance, opening the difuran ring of AFB1 was recorded by AF-detoxifizyme and AF oxidase which produced by Armillaria tabescens (Liu et al 2001;Wu et al 2015).…”

Section: Degrade Afb1mentioning

confidence: 99%

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In vitro and molecular docking evaluation of target proteins of lipase and protease for the degradation of aflatoxins

Al-Rajhi,

Ganash,

Alshammari

et al. 2024

BioRes

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The consumption of food contaminated with aflatoxins causes severe harmful health effects, which can lead to death, in both humans and livestock. Therefore, the degradation of aflatoxins, particularly by biological methods, is considered a feasible technology for remediation of aflatoxin-contaminated products. In vitro, aflatoxin B1, B2, G1, and G2 were degraded by 25 U/mL of lipase with reduction percentages of 57.5, 71.7, 80.1, and 83.8%. This reduction increased to 81.3, 82.8, 86.9, and 90.7% via 200 U/mL of lipase, respectively. Protease was less effective than lipase in the degradation of aflatoxin B1, B2, G1, and G2 with reduction levels of 35.8, 54.9, 66.5, and 70.2%, respectively, at 25 U/mL of protease. This investigation offers new concepts for the quick screening of aflatoxin-degrading enzymes and offers a theoretical basis for the degradation of aflatoxins. Interactions between aflatoxin B1 (considered as a ligand) and proteins that were taken as receptors (Structure of Lipase PDB ID: 1DT3 and Protease PDB ID: 2PRO) were elucidated. The molecular modeling results of utilized compound showed a notable binding score and best Root Mean Square (RMS) define value, indicating efficient binding mode and appropriate interactions with amino acids of selected proteins.

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Section: Degrade Afb1mentioning

confidence: 71%

Section: Degrade Afb1mentioning

confidence: 99%

In vitro and molecular docking evaluation of target proteins of lipase and protease for the degradation of aflatoxins

Al-Rajhi,

Ganash,

Alshammari

et al. 2024

BioRes

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“…The presence of double bonds in the furan ring, lactone ring, and cyclopentene ring of AFB 1 is a key factor in its toxic and carcinogenic activities, with AFB 1 -degrading enzymes playing a crucial role by altering these structures . Molecular docking technology, widely employed in virtual drug screening and protein function annotation, , has been used to predict the interaction between laccase and AFB 1 . In this study, both Tpx and GldA exhibited strong binding affinity with AFB 1 , with Tpx forming more hydrogen bonds with AFB 1 than GldA, indicating the higher binding affinity of Tpx compared to GldA.…”

Section: Discussionmentioning

confidence: 87%

Biodegradation Characteristics and Mechanism of Aflatoxin B₁ by Bacillus amyloliquefaciens from Enzymatic and Multiomics Perspectives

Shi,

Chang,

Zhang

et al. 2024

J. Agric. Food Chem.

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Aflatoxin B 1 (AFB 1 ), a mycotoxin and natural carcinogen, commonly contaminates cereals and animal feeds, posing serious health risks to human and animal. In this study, Bacillus amyloliquefaciens ZG08 isolated from kimchi could effectively remove 80.93% of AFB 1 within 72 h at 37 °C and pH 7.0. Metabolome and transcriptome analysis showed that metabolic processes including glycerophospholipid metabolism and amino acid metabolism were most affected in B. amyloliquefaciens ZG08 exposed to AFB 1 . The adaptation mechanism likely involved activation of the thioredoxin system to restore intracellular redox equilibrium. The key genes, tpx and gldA, overexpressed in Escherichia coli BL21, achieved degradation rates of 60.15% and 47.16% for 100 μg/kg AFB 1 under optimal conditions of 37 °C and pH 8.0 and 45 °C and pH 7.0, respectively. The degradation products, identified as AFD 1 , were less cytotoxic than AFB 1 in HepG2 cells. These findings suggest potential strategies for utilizing probiotics and engineered enzymes in AFB 1 detoxification.

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“…The HKP protein exhibited the lowest binding energy with L-selenocysteine, measuring −6.5 kcal/mol. This value was not significantly different from the binding energies of L-selenomethionine and DL-selenomethionine, which were −4.3 and −4.8 kcal/mol, respectively 40,41. The Figure10Ashows thatL-selenocysteine ligands are stable when binding to the LuxP protein receptor.…”

mentioning

confidence: 79%

Regulation and mechanism of organic selenium on quorum sensing, biofilm, and antioxidant effects of Lactobacillus paracasei

Lou,

Dong,

Tao

et al. 2024

Cell Biochemistry & Function

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Different organic compounds can have varying degrees of impact on the activity of Lactobacillus paracasei. The study focused on the impact and action mechanism of different organic selenium products on the bioactivity of two strains of L. paracasei. The growth, antioxidant activity, extracellular polysaccharide secretion, quorum sensing (QS), and biofilm formation of the strains before and after the addition of organic selenium crude products and three organic selenium standard were evaluated. The results showed that the addition of crude organic selenium promoted the various activities of the strain. l‐selenocysteine had the strongest regulatory effect, with maximum GIM1.80 biofilm formation when it reached a critical concentration of 0.4 μg/mL; l‐selenomethionine resulted in the highest activity of the signal molecule Auto inducer‐2 of GDMCC1.155, when it reached a critical concentration of 0.4 μg/mL. The results of scanning electron microscopy demonstrated that the addition of organic selenium effectively improved the morphological structure of the two bacterial cells. Molecular docking revealed that the mechanism by which organic selenium regulates QS in Lactobacillus was achieved by binding two crucial receptor proteins (histidine protein kinase HKP and periplasmic binding protein LuxP) from specific sites. Furthermore, organic selenium products have a beneficial regulatory effect on the biological activity of L. paracasei. Overall, these findings provide a new alternative (organic selenium) for regulating the viability and beneficial activity of L. paracasei.

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New insights into searching patulin degrading enzymes in Saccharomyces cerevisiae through proteomic and molecular docking analysis

Cited by 19 publications

References 74 publications

In vitro and molecular docking evaluation of target proteins of lipase and protease for the degradation of aflatoxins

In vitro and molecular docking evaluation of target proteins of lipase and protease for the degradation of aflatoxins

Biodegradation Characteristics and Mechanism of Aflatoxin B₁ by Bacillus amyloliquefaciens from Enzymatic and Multiomics Perspectives

Regulation and mechanism of organic selenium on quorum sensing, biofilm, and antioxidant effects of Lactobacillus paracasei

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New insights into searching patulin degrading enzymes in Saccharomyces cerevisiae through proteomic and molecular docking analysis

Cited by 19 publications

References 74 publications

In vitro and molecular docking evaluation of target proteins of lipase and protease for the degradation of aflatoxins

In vitro and molecular docking evaluation of target proteins of lipase and protease for the degradation of aflatoxins

Biodegradation Characteristics and Mechanism of Aflatoxin B1 by Bacillus amyloliquefaciens from Enzymatic and Multiomics Perspectives

Regulation and mechanism of organic selenium on quorum sensing, biofilm, and antioxidant effects of Lactobacillus paracasei

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Biodegradation Characteristics and Mechanism of Aflatoxin B₁ by Bacillus amyloliquefaciens from Enzymatic and Multiomics Perspectives