Mechanism of trypsin activation by pulsed electric field treatment revealed based on chemical experiments and molecular dynamics simulations

Li, Yinli; Yuan, Zihan; Gao, Yuanhong; Bao, Zhijie; Sun, Na; Lin, Songyi

doi:10.1016/j.foodchem.2022.133477

Cited by 17 publications

(6 citation statements)

References 34 publications

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“…Li et al [ 17 ] documented that the high intensity of PEF inhibited trypsin. Similarly, Gilliland and Speck [ 9 ] also reported the complete inhibition of Bacillus subtilis ’s protease and bovine trypsin with a high electric field of 31 kV/cm.…”

Section: Resultsmentioning

confidence: 99%

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Impact of Prior Pulsed Electric Field and Chitooligosaccharide Treatment on Trypsin Activity and Quality Changes in Whole and Beheaded Harpiosquillid Mantis Shrimp during Storage in Iced Water

Chanchi Prashanthkumar,

Temdee,

Mittal

et al. 2023

Foods

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Harpiosquillid mantis shrimp (Harpiosquilla raphidea) (HMS) without and with beheading pretreated with pulsed electric field (PEF) (15 kV/cm, 800 pulses, 5 min) were soaked in chitooligosaccharide (COS) solution at varying concentrations (0, 1 and 2%, w/v) for 20 min and stored for 3 days in iced water. Changes in the trypsin activity, color, texture, protein pattern, TCA soluble peptide content, histological images, protein secondary structure and microbial load were monitored during the storage. The beheaded HMS pretreated with PEF and soaked in 2% COS solution showed the maximum efficacy in inhibiting trypsin activity and proteolysis, thus retaining muscle proteins, especially myosin heavy chain, actin and troponin T as well as shear force up to day 3. Pronounced muscle destruction in the whole HMS was displayed by a decreased mean grey index and fiber gapping. Such changes were lowered by the beheading and PEF/2% COS treatment (2% COS-BH). Nevertheless, no marked change in the secondary structure including α-helix, β-sheets, β-turns and random coil were observed among any of the samples. The microbiological analysis revealed that the total viable count (TVC) was below 6 log CFU/g till day 2 in all samples. Nonetheless, the 2% COS-BH sample had the lowest psychrophilic bacterial count and Enterobacteriaceae count at day 3, compared to the others. Thus, the combination of the prior PEF and 2% COS treatment of beheaded HMS could effectively inhibit proteases, retard the microbial growth and maintain the quality of HMS stored in iced water.

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Section: Resultsmentioning

confidence: 99%

“…The high degradation of MHC might be due to the stabilization of trypsin caused by PEF. Li et al [ 17 ] reported that trypsin stabilized by the PEF with the high-intensity electric field resulted in the degradation of MHC. However, the HMS samples pretreated with PEF and soaked in 1 and 2% COS had retained MHC, AC and TNT bands.…”

Section: Resultsmentioning

confidence: 99%

Impact of Prior Pulsed Electric Field and Chitooligosaccharide Treatment on Trypsin Activity and Quality Changes in Whole and Beheaded Harpiosquillid Mantis Shrimp during Storage in Iced Water

Chanchi Prashanthkumar,

Temdee,

Mittal

et al. 2023

Foods

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“…SASA can study protein folding stability, determine the surface area after interaction between proteins and small molecules, and predict the structural energy between ligands and receptors. 36 Figure 4D shows that the compound 2/ α-glucosidase system first increased and then decreased while the acarbose/α-glucosidase system increased, indicating that under the action of small molecules, the protein pocket of the acarbose system slightly increased a little, so the surface area becomes larger. Hydrogen bonding is the most important noncovalent structural force (mainly electrostatic in nature) in molecular systems.…”

Section: Simulation Details Analysismentioning

confidence: 99%

Inhibitory Mechanism of Prenylated Flavonoids Isolated from Mulberry Leaves on α-Glucosidase by Multi-Spectroscopy and Molecular Dynamics Simulation

Tian

Zhao

et al. 2023

J. Agric. Food Chem.

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Flavonoids have always been considered as the chemical basis for the hypoglycemic effect of mulberry leaves. In the course of our search for hypoglycemic effect agents from natural sources, a systematic study was launched to explore prenylated flavonoids from mulberry leaves. Herein, chemical investigation led to the isolation of 10 characteristic prenylated flavonoids, including two new compounds (1 and 3). Their structures were elucidated based on spectroscopic data. All compounds exhibited good α-glucosidase inhibitory activity in vitro, among which compound 2 had the best activity (IC 50 = 2.6 μM), better than acarbose (IC 50 = 19.6 μM). Additional in vivo tests have further demonstrated compound that compound 2 has a good ability to reduce postprandial blood glucose. Then, multi-spectroscopic methods and molecular simulation studies were used to study the inhibition mechanism. The results showed that compound 2 was a mixed inhibition of α-glucosidase and the binding process was spontaneous, with van der Waals forces as the main driving force, followed by hydrogen bonding and electrostatic forces. The above studies enriched the chemical basis of mulberry leaves, and the application of computational chemistry also provided a reference for future research on such structures.

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“…Recently, the extraction and purification of bioactive compounds have employed PEF treatment, a potential non-thermal treatment method [ 9 , 10 , 11 ]. It is notable that PEF treatment might improve peptide biological activity in vitro under the appropriate conditions, and the optimal conditions are mostly in the range of 10-40 kV/cm [ 12 , 13 , 14 , 15 , 16 ]. In addition, the mechanisms of improvement of the biological activity of food-derived peptides by PEF were also investigated in recent studies.…”

Section: Introductionmentioning

confidence: 99%

C-Terminal Modification on the Immunomodulatory Activity, Antioxidant Activity, and Structure–Activity Relationship of Pulsed Electric Field (PEF)-Treated Pine Nut Peptide

Zhang

Liu

Bao

et al. 2022

Foods

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In this study, a novel peptide VNAVL was synthesized by removing the C-terminal histidine on the basis of a bioactive peptide VNAVLH obtained from pine nut (Pinus koraiensis Sieb. et Zucc) protein. The effects of removing histidine on antioxidant activity, immunomodulatory activity, and secondary structure of the PEF-treated peptide were discussed. Compared with VNAVLH, VNAVL only exhibited lower antioxidant activity, but no immunomodulatory activity to release TNF-α, IL-6, and NO by activating RAW 264.7 cells. In addition, both antioxidant and immune activities of VNAVLH were significantly more sensitive to treatment with 40 kV/cm than other field intensities, whereas VNAVL was not sensitive to field strength changes. CD spectra and DSSP analysis verified that both peptides consisted of a β structure and random coil, but the ability of VNAVL to transform the random coil via PEF treatment is weaker than that of VNAVLH. Therefore, PEF treatment might expose the key active site located on the C-terminal histidine by altering the secondary structure of the peptide.

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Mechanism of trypsin activation by pulsed electric field treatment revealed based on chemical experiments and molecular dynamics simulations

Cited by 17 publications

References 34 publications

Impact of Prior Pulsed Electric Field and Chitooligosaccharide Treatment on Trypsin Activity and Quality Changes in Whole and Beheaded Harpiosquillid Mantis Shrimp during Storage in Iced Water

Impact of Prior Pulsed Electric Field and Chitooligosaccharide Treatment on Trypsin Activity and Quality Changes in Whole and Beheaded Harpiosquillid Mantis Shrimp during Storage in Iced Water

Inhibitory Mechanism of Prenylated Flavonoids Isolated from Mulberry Leaves on α-Glucosidase by Multi-Spectroscopy and Molecular Dynamics Simulation

C-Terminal Modification on the Immunomodulatory Activity, Antioxidant Activity, and Structure–Activity Relationship of Pulsed Electric Field (PEF)-Treated Pine Nut Peptide

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