4.7 Article

Interaction mechanism and binding mode of phycocyanin to lysozyme: Molecular docking and molecular dynamics simulation

Related references

Note: Only part of the references are listed.
Article Chemistry, Applied

Improving ACE inhibitory activity of hazelnut peptide modified by plastein: Physicochemical properties and action mechanism

Wentian Song et al.

Summary: This study explores the effect of the plastein reaction on hazelnut protein hydrolysate and hazelnut peptide YLVR and its mechanism of structural change. The results indicate that the reaction occurs through condensation and can improve the activity of YLVR. Additionally, the synthesis of novel inhibitory peptides YYLVR, YLLVR, and YYLLVR reveals that their inhibition rates are higher than that of YLVR.

FOOD CHEMISTRY (2023)

Article Chemistry, Applied

Octenyl succinate anhydride debranched starch-based nanocarriers for curcumin with improved stability and antioxidant activity

Shangyun Liang et al.

Summary: In this study, nanoparticles composed of curcumin and octenyl succinic anhydride-modified debranched starch were prepared and characterized. The nanoparticles showed improved stability and sustained release of curcumin, making them potential delivery systems for curcumin.

FOOD HYDROCOLLOIDS (2023)

Article Chemistry, Applied

Creation of a new proof-of-concept pectin/lysozyme nanocomplex as potential β-lactose delivery matrix: Structure and thermal stability analyses

Magner Pessoa Da Silva et al.

Summary: This study presents a new proof-of-concept pectin/lysozyme nanocomplexes loaded with beta-lactose, which can enhance the potential application of beta-lactose in oral delivery systems. The prepared nanoparticles exhibited desirable characteristics, including appropriate size and morphology, as well as negative surface charge. The encapsulation efficiency of beta-lactose was high, and the nanoparticles maintained thermal stability with acid galacturonans covering the surface.

FOOD HYDROCOLLOIDS (2023)

Article Chemistry, Applied

Exploring the binding mechanism of pumpkin seed protein and apigenin: Spectroscopic analysis, molecular docking and molecular dynamics simulation

Fuqiang Liang et al.

Summary: This study investigated the interaction between apigenin and pumpkin seed protein (PSP) using multi-spectroscopic analysis and molecular simulation approaches. The results showed that apigenin interacted with PSP through hydrophobic interactions. Molecular docking and molecular dynamics simulations revealed that apigenin maintained binding stability in the hydrophobic pockets of the protein. The interaction induced changes in the protein's structure and conformation. This study provides theoretical evidence for the potential application of PSP and apigenin complex products in the food industry.

FOOD HYDROCOLLOIDS (2023)

Article Chemistry, Applied

Interaction and binding mechanism of cyanidin-3-O-glucoside to lysozyme in varying pH conditions: Multi-spectroscopic, molecular docking and molecular dynamics simulation approaches

Hailong Gui et al.

Summary: The interaction between lysozyme and cyanidin-3-O-glucoside was studied at pH 3.0 and 7.4 using various spectroscopic methods, molecular docking, and molecular dynamics simulation. The binding between lysozyme and cyanidin-3-O-glucoside resulted in enhanced UV spectra and reduced α-helicity, which were more significant at pH 7.4 than at pH 3.0. Fluorescence quenching analysis revealed a static mode at pH 3.0 and a partially dynamic mode at pH 7.4, with a higher Ks value at 310 K. Molecular docking showed that cyanidin-3-O-glucoside derivatives bind to lysozyme at a common site through hydrogen bonding and π-π interactions, and tryptophan played an important role in this interaction.

FOOD CHEMISTRY (2023)

Article Chemistry, Applied

Modification of functional properties of perilla protein isolate by high-intensity ultrasonic treatment and the stability of o/w emulsion

Qiaoli Zhao et al.

Summary: This study found that ultrasonic treatment can improve the functional properties of perilla protein isolate (PPI) and enhance its stability in emulsions. Ultrasonic treatment results in smaller particle size, increased solubility, and higher stability of emulsions stabilized by PPI.

FOOD CHEMISTRY (2022)

Article Chemistry, Applied

Complexation of ellagic acid with α-lactalbumin and its antioxidant property

Mengxue Diao et al.

Summary: The study investigated the binding interaction between ellagic acid and alpha-lactalbumin using multi-spectroscopy and chromatographic analysis and found that ellagic acid could change the conformation of alpha-lactalbumin. Computer simulations showed that ellagic acid tended to bind to aromatic cluster II of alpha-lactalbumin. This work suggested that alpha-lactalbumin exhibited binding affinity for ellagic acid and enhanced its antioxidant properties.

FOOD CHEMISTRY (2022)

Article Chemistry, Applied

Thermal and acidic denaturation of phycocyanin from Arthrospira platensis: Effects of complexation with λ-carrageenan on blue color stability

Stephan Buecker et al.

Summary: This study investigates the impact of adding λ-carrageenan on the color appearance of phycocyanin, a natural blue pigment, at different pH levels and after heat treatments. The results suggest that electrostatic interactions play a key role in the color shift of phycocyanin, and the complexation of phycocyanin and λ-carrageenan remains stable during heating.

FOOD CHEMISTRY (2022)

Article Chemistry, Applied

pH-dependent interaction mechanisms between β-lactoglobulin and EGCG: Insights from multi-spectroscopy and molecular dynamics simulation methods

Chengzhi Liu et al.

Summary: This study investigated the pH-dependent interaction mechanisms between beta-lactoglobulin (beta-LG) and epigallocatechin-3-gallate (EGCG) using multi-spectroscopy and molecular dynamics simulation. The results revealed that pH values influenced the formation of beta-LG-EGCG complexes, quenching of beta-LG fluorescence, and slight changes to the secondary structure of beta-LG. Molecular dynamics simulation showed that EGCG preferred to bind to specific pockets of beta-LG at different pH values. The findings of this study have significance in developing dairy products as EGCG delivery systems.

FOOD HYDROCOLLOIDS (2022)

Article Chemistry, Applied

Theoretical and experimental perspectives of interaction mechanism between zein and lysozyme

Min Huang et al.

Summary: The interaction mechanism between zein and lysozyme was investigated in this study. The results showed that zein-lysozyme complex nanoparticles were stable at a ratio of 2:1 and pH 4.0, with electrostatic and hydrophobic interactions being the main driving forces. Hydrogen bonding also played a role, but not as significant. The molecular dynamics simulations revealed that lysozyme preferred to bind to the protruding area of zein, and certain residues in both zein and lysozyme contributed significantly to the binding. These findings provide scientific guidance for the potential application of zein-lysozyme nanoparticles in the food industry as delivery systems or emulsion stabilizers.

FOOD HYDROCOLLOIDS (2022)

Article Chemistry, Applied

Molecular dynamics simulation of the interactions between sesamol and myosin combined with spectroscopy and molecular docking studies

Ping Han et al.

Summary: This study explored the mechanism of interactions between sesamol and myosin and confirmed the potential application of sesamol in a meat protein system. Spectroscopic studies revealed that sesamol formed a complex with myosin through hydrogen bonding and hydrophobic interactions. The interactions resulted in a decrease of myosin alpha-helix content and improved solubility, emulsification properties, and particle size of the sesamol-myosin complex.

FOOD HYDROCOLLOIDS (2022)

Article Chemistry, Applied

Ultrasound-reinforced encapsulation of proanthocyanidin by chitosan-chondroitin sulfate nanosystem

Zijuan Yu et al.

Summary: This study investigated the polyelectrolyte complexation between chitosan and chondroitin sulfate, as well as the ultrasonication assistance, for the encapsulation of proanthocyanidin in nanoparticles. The optimal conditions for the preparation of nanoparticles were determined to be 1.5 mg/mL of chitosan and chondroitin sulfate, a 1:3 wt ratio of chitosan/chondroitin sulfate, 0.5 mg/mL of proanthocyanidin, pH 3.25, and 1 min of ultrasonic treatment. The resulting nanoparticles had a small size of approximately 300 nm and high entrapment efficiency of 37.5%. The incorporation of proanthocyanidin-encapsulated nanoparticles into chitosan bio-films decreased the bacterial count and lipid oxidation of stored fillets, demonstrating their potential application in food preservation.

FOOD HYDROCOLLOIDS (2022)

Article Food Science & Technology

Utilization of different carrier agents for chlorophyll encapsulation: Characterization and kinetic stability study

Israel Emiezi Agarry et al.

Summary: This study fabricated chlorophyll-loaded nano/microparticles using different protein carriers and found that these particles could effectively protect chlorophyll from acid pH and light conditions.

FOOD RESEARCH INTERNATIONAL (2022)

Article Biochemistry & Molecular Biology

Fabrication and characterization of phycocyanin-alginate-pregelatinized corn starch composite gel beads: Effects of carriers on kinetic stability of phycocyanin

Nasireh Alavi et al.

Summary: This study demonstrates that composite gel beads can enhance the stability of phycocyanin (PC), with improved structural, morphological, and water structure properties.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2022)

Article Chemistry, Applied

Improvement of the storage stability of C-phycocyanin in beverages by high-pressure processing

Zhong Zhang et al.

Summary: This study explores the impact of high-pressure processing (HPP) on the structure and color stability of phycocyanin, as well as its mixtures with whey protein and carrageenan. The results indicate that pH plays a significant role in the stability of the samples during HPP treatment, with pH 3.0 showing the highest stability. Furthermore, HPP treatment enhances the light stability of the samples, with improvements observed in phycocyanin-whey protein mixture at pH 5.0 and phycocyanin-carrageenan at pH 7.0.

FOOD HYDROCOLLOIDS (2021)

Article Biochemistry & Molecular Biology

Preparation, characterization, and antioxidant activity of zein nanoparticles stabilized by whey protein nanofibrils

Qingguan Liu et al.

Summary: The study developed a method to prepare whey protein nanofibrils stabilized zein nanoparticles and investigated the properties, in vitro digestion, and antioxidant activity of the nanoparticles. The findings suggest that this new technology may be used for preparing nanoparticles of other similar hydrophobic food ingredients and provide a theoretical basis for preparation of nanoparticles as a nutrient delivery system.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2021)

Article Chemistry, Applied

Explore the interaction mechanism between zein and EGCG using multi-spectroscopy and molecular dynamics simulation methods

Chengzhi Liu et al.

Summary: The study investigated the binding mechanism of zein with EGCG, revealing that static quenching is the main interaction mode. Molecular dynamics simulation showed that EGCG prefers to bind to a pocket of zein formed by specific residues, with electrostatic and van der Waals interactions playing a dominant role in the binding. This research provides new insights into the interaction mechanism between zein and EGCG, which is crucial for developing plant protein as a tea polyphenol delivery system.

FOOD HYDROCOLLOIDS (2021)

Article Food Science & Technology

Antioxidant potential of nature's something blue: Something new in the marriage of biological activity and extraction methods applied to C-phycocyanin

Camilly Fratelli et al.

Summary: This study gathered information on the most used techniques for extracting C-PC from Spirulina in the past decade, finding that ultrasound-assisted extraction and solvent extraction using water or buffer were commonly used methods. However, UAE did not appear to protect the bioactivity of C-PC. Most studies in the previous ten years only used a single method to determine C-PC's antioxidant activity.

TRENDS IN FOOD SCIENCE & TECHNOLOGY (2021)

Article Food Science & Technology

Shellac: A promising natural polymer in the food industry

Yi Yuan et al.

Summary: The review highlights the diverse applications of shellac in the food industry, with a focus on its extraction, processing, physicochemical properties, and potential advantages. Despite the maturity of extraction and processing technology, there is a need for further research on new applications and addressing constraints related to self-polymerization for enhancing the stability of shellac-based food systems. The study suggests that shellac holds significant potential for various food-related applications.

TRENDS IN FOOD SCIENCE & TECHNOLOGY (2021)

Article Chemistry, Applied

Whey protein improves the stability of C-phycocyanin in acidified conditions during light storage

Shuang Zhang et al.

Summary: Low concentration of whey protein isolate (WPI) can delay the color degradation of C-phycocyanin during light storage at pH 3.0, while higher concentration of WPI may aggravate the color degradation after heat treatment. Structural changes of C-phycocyanin, such as protection of alpha-helix and transformation to beta-sheet, were confirmed through Fourier transform infrared and fluorescence spectroscopy. These results suggest that a low concentration of WPI can help protect the secondary structure of C-phycocyanin from damage during light storage.

FOOD CHEMISTRY (2021)

Article Biochemistry & Molecular Biology

Fabrication of lysozyme/κ-carrageenan complex nanoparticles as a novel carrier to enhance the stability and in vitro release of curcumin

Weinan Huang et al.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2020)

Article Food Science & Technology

Effects of collagen and casein with phenolic compounds interactions on protein in vitro digestion and antioxidation

Qian Zhao et al.

LWT-FOOD SCIENCE AND TECHNOLOGY (2020)

Article Biochemistry & Molecular Biology

Effect of chitosan molecular weight on zein-chitosan nanocomplexes: Formation, characterization, and the delivery of quercetagetin

Shuai Chen et al.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2020)

Article Chemistry, Physical

Molecular interactions of food additive dye quinoline yellow (Qy) with alpha-lactalbumin: Spectroscopic and computational studies

Nasser Abdulatif Al-Shabib et al.

JOURNAL OF MOLECULAR LIQUIDS (2020)

Article Biochemistry & Molecular Biology

Fabrication of stable zein nanoparticles by chondroitin sulfate deposition based on antisolvent precipitation method

Yongkai Yuan et al.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2019)

Article Biotechnology & Applied Microbiology

A new approach for proteases production by Aspergillus niger based on the kinetic and thermodynamic parameters of the enzymes obtained

Ruann Janser Soares de Castro et al.

BIOCATALYSIS AND AGRICULTURAL BIOTECHNOLOGY (2015)

Article Agriculture, Multidisciplinary

Protein Composition of Different Sized Casein Micelles in Milk after the Binding of Lactoferrin or Lysozyme

Skelte G. Anema et al.

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2013)

Article Biochemistry & Molecular Biology

The Protein Data Bank

HM Berman et al.

NUCLEIC ACIDS RESEARCH (2000)