Structural basis of ConM binding with resveratrol, an anti-inflammatory and antioxidant polyphenol

Rocha, B.A.M.; Teixeira, Claudener S.; Silva-Filho, J.C.; Nobrega, R.B.; Alencar, Daniel Barroso de; Nascimento, Kyria S.; Freire, V. N.; Gottfried, Carmem; Nagano, Celso Shiniti; Sampaio, Alexandre Holanda; Saker-Sampaio, Silvana; Cavada, Benildo S.; Delatorre, P.

doi:10.1016/j.ijbiomac.2014.08.031

Cited by 15 publications

(5 citation statements)

References 42 publications

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“…In contrast, oneway ANOVA determined statistical examination of data collected experimentally (* p < 0.05, ** p < 0.01, and *** p < 0.001) were regarded as significant differences when associated with the control. Graph Pad Prism 5.0 Version for Windows was used to evaluate statistical results (San Diego, CA, USA) [84,85].…”

Section: Discussionmentioning

confidence: 99%

Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential

et al. 2022

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In present study, we used Olea europaea leaf extract to biosynthesize in situ Copper Oxide nanocrystals (CuO @OVLe NCs) with powerful antibacterial and anti-cancer capabilities. Physio-chemical analyses, such as UV/Vis, FTIR, XRD, EDX, SEM, and TEM, were applied to characterize CuO @OVLe NCs. The UV/Vis spectrum demonstrated a strong peak at 345 nm. Furthermore, FTIR, XRD, and EDX validated the coating operation’s contact with colloidal CuO @OVLe NCs. According to TEM and SEM analyses, CuO @OVLe NCs exhibited a spherical shape and uniform distribution of size with aggregation, for an average size of ~75 nm. The nanoparticles demonstrated a considerable antibacterial effect against E. faecium bacterial growth, as well as an increased inhibition rate in a dose-dependent manner on the MCF-7, PC3, and HpeG2 cancer cell lines and a decreased inhibition rate on WRL-68. Molecular docking and MD simulation were used to demonstrate the high binding affinity of a ligand (Oleuropein) toward the lectin receptor complex of the outer membrane to vancomycin-resistant E. faecium (VREfm) via amino acids (Leu 195, Thr 288, His 165, and Ser 196). Hence, our results expand the accessibility of OVLe’s bioactive components as a promising natural source for the manufacture of physiologically active components and the creation of green biosynthesis of metal nanocrystals.

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Section: Discussionmentioning

confidence: 99%

Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential

et al. 2022

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“…Binding of resveratrol with lectin; a sugar-binding protein, exhibited an effective synergetic activity with 2:3 ratio of lectin to resveratrol. It has been suggested that resveratrol binds in the rigid β-sheets through H-bonds and hydrophobic interaction with amino acids and acts as free radical scavenger and reduces the inflammatory action through the inhibition of many pro-inflammatory events (Rocha et al 2015). The oral administration of resveratrol-loaded zein nanoparticles to mice induced a suppression of tumor necrosis factor alpha (TNF-α) which is an inflammatory cytokine produced during acute inflammation.…”

Section: Potential Bioactivitiesmentioning

confidence: 99%

Phenolic-protein interactions: insight from in-silico analyses – a review

Shahidi

Dissanayaka

2023

Food Prod Process and Nutr

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Phenolic compounds are ubiquitous plant secondary metabolites that possess various biological activities and are known to interact with proteins, altering their structure and properties. Therefore, interactions between these compounds and proteins has gained increasing attention due to their potential benefits to human health and for exploitation by the food industry. Phenolic compounds and proteins can form complexes via covalent linkages and/or non-covalent interactions through hydrophobic, electrostatic, van der Waals forces and hydrogen bonding. This review describes possible mechanisms of phenol-protein complex formation, their physiological action and activities that are important in the food industry, and possible outcomes in the terms of molecular docking and simulation analysis. The conformational changes of the protein upon binding with polyphenols can lead to the folding or unfolding of the protein molecules, forming insoluble or soluble complexes. The concentration of polyphenols, their molecular weight and structure, ions/cofactors and conditions of the system determine the precipitation or solubilization of the complex, affecting their nutritional and functional properties as well as their bioactivities. In this regard, molecular docking and simulation studies of phenolic-protein interactions allows comprehensive virtual screening of competitive/non-competitive and site-specific/non-specific conjugation of phenolics with different protein targets and facilitates understanding the observed effects. The docking analysis of flavonoids with enzymes and milk proteins has indicated their potential application in producing nutraceuticals and functional foods. Thus, combining molecular docking and simulation studies with experimental techniques is vital for better understanding the reactions that take place during digestion to engineer and manufacture novel food ingredients with desirable pharmacological properties and as potential food additives. Graphical Abstract

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“…As a natural hypoglycemic agent, the anti-diabetic effect of plant polyphenols has been widely confirmed in cell, animal, and human clinical trials [ 26 ]. Current studies have shown that plant polyphenols and proteins can work together synergistically in terms of antioxidant, anti-inflammatory, and anti-cancer effects, and the regulation of intestinal flora [ 27 , 28 , 29 ]. However, the potential antidiabetic activity of protein–polyphenol complexes has not been revealed.…”

Section: Introductionmentioning

confidence: 99%

Metallothionein–Kidney Bean Polyphenol Complexes Showed Antidiabetic Activity in Type 2 Diabetic Rats by Improving Insulin Resistance and Regulating Gut Microbiota

Zuo,

Pang,

Sun

et al. 2023

Foods

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Previous studies have shown that interaction between polyphenols and proteins can benefit health, but the mechanism of its antidiabetic effect has not been thoroughly elucidated. Therefore, this study aimed to investigate the impact of the metallothionein (MT)–kidney bean polyphenol complex on the blood glucose levels and gut microbiota of rats with type 2 diabetes mellitus (T2DM) induced by a high-fat diet combined with streptozotocin (STZ). After 7 weeks of intervention, the MT–kidney bean polyphenol complex can significantly improve the loss of body weight, the increase in blood glucose and blood lipids, and insulin resistance caused by T2DM in rats. In addition, it can effectively alleviate the damage to the pancreas and liver in rats. The MT–kidney bean polyphenol complex also significantly increased the concentrations of six short-chain fatty acids (SCFAs) in the intestinal contents of rats, especially acetic acid, propionic acid, and butyric acid (296.03%, 223.86%, and 148.97%, respectively). More importantly, the MT–kidney bean polyphenol complex can significantly reverse intestinal microflora dysbiosis in rats caused by T2DM, increase intestinal microorganism diversity, improve the abundance of various beneficial bacteria, and reshape the gut microbiota. In summary, the hypoglycemic effect of the MT–kidney bean polyphenol complex and its possible mechanism was expounded in terms of blood glucose level, blood lipid level, and gut microbiota, providing a new perspective on the development of the MT–kidney bean polyphenol complex as functional hypoglycemic food.

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Structural basis of ConM binding with resveratrol, an anti-inflammatory and antioxidant polyphenol

Cited by 15 publications

References 42 publications

Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential

Novel Copper Oxide Bio-Nanocrystals to Target Outer Membrane Lectin of Vancomycin-Resistant Enterococcus faecium (VREfm): In Silico, Bioavailability, Antimicrobial, and Anticancer Potential

Phenolic-protein interactions: insight from in-silico analyses – a review

Metallothionein–Kidney Bean Polyphenol Complexes Showed Antidiabetic Activity in Type 2 Diabetic Rats by Improving Insulin Resistance and Regulating Gut Microbiota

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