Insights from multi-spectroscopic analysis and molecular modeling to understand the structure–affinity relationship and the interaction mechanism of flavonoids with gliadin

Zhao, Jie; Huang, Lin; Li, Renjie; Zhang, Zhuangwei; Chen, Jin; Tang, Hongjin

doi:10.1039/d1fo03816h

Cited by 16 publications

(1 citation statement)

References 35 publications

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“…The H 0 results showed that the addition of ILs could increase the H 0 of ΔLdcEt3 to some extent, and the H 0 values of both ΔLdcEt3-[Emim]Cl ( H 0 = 232.89) and ΔLdcEt3-[Ch][Ser] ( H 0 = 223.2) were improved compared to ΔLdcEt3 ( H 0 = 214.47) (Figure S42). The increase in H 0 meant that there were some internal hydrophobic residues/domains exposed in the external solution environment, , and the addition of ILs affected the surface properties of the protein. Therefore, the H 0 results demonstrated that the addition of ILs could change the microenvironment on the protein surface and affect the local structure of ΔLdcEt3, which might be in favor of the binding process of PLP and l -lysine.…”

Section: Resultsmentioning

confidence: 99%

Ionozymes for Efficient Synthesis of Cadaverine: Offering a Sustainable Way for Bio-nylon 5X Production

Wang

Xue

et al. 2023

ACS Sustainable Chem. Eng.

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Bio-based cadaverine, a crucial monomer for the production of bio-nylon 5X, can be synthesized during the bioconversion of L-lysine HCl relying on lysine decarboxylases. The rationally designed lysine decarboxylase ΔLdcEt3 has exhibited outstanding alkaline stability in pH 8.0 (half-life: 362 h); however, its catalytic activity still needs to be improved to meet the requirements of industrial cadaverine production. A novel ionozyme strategy can create a preferable reaction microenvironment, affect the intermediate formation, and/or improve the enzymatic stability and activity. Therefore, ionozymes ΔLdcEt3-[Emim]Cl and ΔLdcEt3-[Ch][Ser] have been successfully developed for efficient cadaverine production in this study. The results showed that the catalytic activities of ΔLdcEt3-[Emim]Cl and ΔLdcEt3-[Ch][Ser] improved 124.2 and 116.2%, respectively. Meanwhile, the catalytic efficiencies (k cat /K m ) of ΔLdcEt3-[Emim]Cl and ΔLdcEt3-[Ch][Ser] were also increased by 1.5-and 1.2-fold, respectively. Particle size, circular dichroism, and Raman spectrum analyses showed that [Emim]Cl and [Ch][Ser] could affect short-range attractions related to the aggregation state and change the secondary structure. Protein surface analysis demonstrated that the addition of ionic liquids changed the hydrophobicity of ΔLdcEt3. In addition, isothermal titration calorimetry and molecular docking revealed that [Emim]Cl and [Ch][Ser] could promote the protein−ligand complexation during the enthalpy-driven L-lysine and ΔLdcEt3 binding process, which was confirmed by molecular dynamics. Therefore, ionozymes ΔLdcEt3-[Emim]Cl/[Ch][Ser] provide a novel possibility for high-level cadaverine production.

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Section: Resultsmentioning

confidence: 99%

Ionozymes for Efficient Synthesis of Cadaverine: Offering a Sustainable Way for Bio-nylon 5X Production

Wang

Xue

et al. 2023

ACS Sustainable Chem. Eng.

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Isobavachalcone induces apoptosis of colorectal cancer cells mediated by interaction with survivin: Experimental and theoretical analyses

Zhang,

Yi,

Chen

2024

Arabian Journal of Chemistry

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Wheat gliadin/xanthan gum intermolecular complexes: Interaction mechanism and structural characterization

Avadanei,

Brunchi

2024

Food Chemistry

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Insights from multi-spectroscopic analysis and molecular modeling to understand the structure–affinity relationship and the interaction mechanism of flavonoids with gliadin

Abstract: Gliadin, as a main composition of wheat storage protein, is used as drug encapsulation and delivery system owing to its specific characteristics. Flavonoids are regarded as active natural products with...

Cited by 16 publications

References 35 publications

Ionozymes for Efficient Synthesis of Cadaverine: Offering a Sustainable Way for Bio-nylon 5X Production

Ionozymes for Efficient Synthesis of Cadaverine: Offering a Sustainable Way for Bio-nylon 5X Production

Isobavachalcone induces apoptosis of colorectal cancer cells mediated by interaction with survivin: Experimental and theoretical analyses

Wheat gliadin/xanthan gum intermolecular complexes: Interaction mechanism and structural characterization

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