Identification of novel umami peptides from myosin via homology modeling and molecular docking

Yu, Zhipeng; Kang, Lixin; Zhao, Wenzhu; Wu, Sijia; Ding, Long; Zheng, Fang; Liu, Jingbo; Lǐ, Jiànróng

doi:10.1016/j.foodchem.2020.128728

Cited by 85 publications

(73 citation statements)

References 28 publications

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“…Numerous studies have also demonstrated that the underlying mechanism of DOX-induced cardiotoxicity is closely related to oxidative stress in cardiomyocytes (Songbo et al, 2019;Yao et al). In this process, some fixed antioxidant enzymes appear in the cells to reduce ROS levels and improve cell survival (Yu, Kang, et al, 2020). These antioxidant enzymes mainly include GSH, CAT, and SOD.…”

Section: Discussionmentioning

confidence: 99%

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NMCP‐2 polysaccharide purified from Morchella conica effectively prevents doxorubicin‐induced cardiotoxicity by decreasing cardiomyocyte apoptosis and myocardial oxidative stress

Xu¹,

Lü

Yao³

et al. 2021

Food Science & Nutrition

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Doxorubicin (DOX) is an anthracycline antibiotic used in the clinical treatment of cancer, but its use is limited due to its cardiotoxic effects. Therefore, it is necessary to explore natural compounds that are effective in protecting against the cardiotoxicity caused by DOX. Neutral Morchella conica polysaccharides-2 (NMCP-2) is a natural polysaccharide with antioxidant activity that was isolated and purified from Morchella conica in our laboratory's previous study. This study aimed to investigate the possible protective effect of NMCP-2 on DOX-induced cardiotoxicity and the potential underlying mechanisms. The model of DOX-induced H9C2 cells and the model of DOXinduced mice were used in this study. In in vitro studies of H9C2 myocardial cells, NMCP-2 effectively increased the activity of H9C2 cells, reducing the levels of lactate dehydrogenase (LDH). In the mouse model of DOX-induced chronic cardiotoxicity, NMCP-2 significantly reduced the cardiac index, reduced the release of serum cardiac enzymes, and improved the pathology of murine myocardial tissues, thereby alleviating DOX-induced cardiotoxicity. Further mechanism studies showed that pretreatment with NMCP-2 counteracted the oxidative stress induced by DOX, as indicated by increasing superoxide dismutase (SOD), catalase (CAT), glutathione (GSH) activities, and malondialdehyde (MDA) production decreased. In addition, we observed NMCP-2 inhibited the activation of the mitochondrial apoptosis pathway and regulated the disordered expression of Bcl-2 and Bax in the myocardial tissues of DOX-treated mice.These findings indicated that NMCP-2, a natural bioactive compound, could potentially be used as a food supplement to reduce the cardiotoxicity caused by DOX.

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Section: Discussionmentioning

confidence: 99%

“…). In this process, some fixed antioxidant enzymes appear in the cells to reduce ROS levels and improve cell survival (Yu, Kang, et al., 2020 ). These antioxidant enzymes mainly include GSH, CAT, and SOD.…”

Section: Discussionmentioning

confidence: 99%

NMCP‐2 polysaccharide purified from Morchella conica effectively prevents doxorubicin‐induced cardiotoxicity by decreasing cardiomyocyte apoptosis and myocardial oxidative stress

Xu¹,

Lü

Yao³

et al. 2021

Food Science & Nutrition

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“…The score calculated in PeptideRanker ( http://distilldeep.ucd.ie/PeptideRanker/ ) was used to predict the potential biological activity of all released peptides. An expected value greater than 0.5 indicated that the peptide might sustain biological activity [ 23 ].…”

Section: Methodsmentioning

confidence: 99%

“…In this research, the toxicity of all peptides was scored in ToxinPred to differentiate toxic and non-toxic peptides. The peptide property calculator ( http://www.innovagen.com/ ) was used to predict the solubility of the peptides [ 23 ]. The peptides sequences were entered into the peptide property calculator, and the predicted results were displayed in a pop-up window [ 24 ].…”

Section: Methodsmentioning

confidence: 99%

Identification of nut protein-derived peptides against SARS-CoV-2 spike protein and main protease

Zhao

et al. 2021

Computers in Biology and Medicine

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Recently, an outbreak of a novel coronavirus disease (COVID-19) has reached pandemic proportions, and there is an urgent need to develop nutritional supplements to assist with prevention, treatment, and recovery. In this study, SARS-CoV-2 inhibitory peptides were screened from nut proteins in silico , and binding affinities of the peptides to the SARS-CoV-2 main protease (M pro ) and the spike protein receptor-binding domain (RBD) were evaluated. Peptide NDQF from peanuts and peptide ASGCGDC from almonds were found to have a strong binding affinity for both targets of the coronavirus. The binding sites of the NDQF and ASGCGDC peptides are highly consistent with the M pro inhibitor N3. In addition, NDQF and ASGCGDC exhibited an effective binding affinity for amino acid residues Tyr453 and Gln493 of the spike RBD. Molecular dynamics simulation further confirmed that the NDQF and ASGCGDC peptides could bind stably to the SARS-COV-2 M pro and spike RBD. In summary, nut protein may be helpful as nutritional supplements for COVID-19 patients, and the screened peptides could be considered a potential lead compound for designing entry inhibitors against SARS-CoV-2.

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“…There is little information reporting mechanism analyses with mGluR1. In fact, most investigations are based on the use of 1EWK and 3KS9 mGluR1s as templates for homology modeling to simulate the docking between drugs or taste-active molecules and T1R1/T1R3 or T2R1/T1R3 [65][66][67][68][69][70], and do not deepen the contribution of mGluRs to taste perception, although knockout studies have demonstrated that they play a key role independently of the heterodimers in umami recognition [29].…”

Section: Interaction Between Umami Dipeptides and Homo Sapiens Mglur1 Open-open Conformationmentioning

confidence: 99%

Characterization of Umami Dry-Cured Ham-Derived Dipeptide Interaction with Metabotropic Glutamate Receptor (mGluR) by Molecular Docking Simulation

2021

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Dry-cured ham-derived dipeptides, generated along a dry-curing process, are of high importance since they play a role in flavor development of dry-cured ham. The objective of this study was to analyze the residues of the less-studied metabotropic glutamate receptor 1 (mGluR1) implicated in the recognition of umami dry-cured ham dipeptides by molecular docking simulation using the AutoDock Suite tool. AH, DA, DG, EE, ES, EV, and VG (and glutamate) were found to attach the enzyme with inhibition constants ranging from 12.32 µM (AH) to 875.75 µM (ES) in the case if Rattus norvegicus mGluR1 and 17.44 µM (VG) to 294.68 µM (DG) in the case of Homo sapiens, in the open–open conformations. Main interactions were done with key receptor residues Tyr74, Ser186, Glu292, and Lys409; and Ser165, Ser186, and Asp318, respectively, for the two receptors in the open–open conformations. However, more residues may be involved in the complex stabilization. Specifically, AH, EE and ES relatively established a higher number of H-bonds, but AH, EV, and VG presented relatively lower Ki values in all cases. The results obtained here could provide information about structure and taste relationships and constitute a theoretical reference for the interactions of novel umami food-derived peptides.

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Identification of novel umami peptides from myosin via homology modeling and molecular docking

Cited by 85 publications

References 28 publications

NMCP‐2 polysaccharide purified from Morchella conica effectively prevents doxorubicin‐induced cardiotoxicity by decreasing cardiomyocyte apoptosis and myocardial oxidative stress

NMCP‐2 polysaccharide purified from Morchella conica effectively prevents doxorubicin‐induced cardiotoxicity by decreasing cardiomyocyte apoptosis and myocardial oxidative stress

Identification of nut protein-derived peptides against SARS-CoV-2 spike protein and main protease

Characterization of Umami Dry-Cured Ham-Derived Dipeptide Interaction with Metabotropic Glutamate Receptor (mGluR) by Molecular Docking Simulation

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