Exploring the Mechanism of Liquid Smoke and Human Taste Perception Based on the Synergy of the Electronic Tongue, Molecular Docking, and Multiple Linear Regression

Hu, Ke; Chang, Rui; Zhu, Qiujin; Wan, Jing; Tang, Pengyu; Liu, Chunli; Li, Song; He, Laping; Chun, Youngsin; Zeng, Xuefeng; Deng, Li; Ping, Hu

doi:10.1007/s11483-020-09632-0

Cited by 7 publications

(3 citation statements)

References 48 publications

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“…At present, research on volatile flavor substances in smoked meat mainly uses gas chromatography-mass spectrometry (GC-MS), full two-dimensional gas chromatographytime-of-flight mass spectrometry (GC × GC-TOF MS), gas chromatography-sniffing (GC-O), electronic nose technology, etc. [7][8][9][10][11]. The gas chromatography-mass spectrometry (GC-IMS) ion migration technique has been emerging in recent years as a rapid detection of volatile flavor of advanced technology, GC-IMS can obtain the flavor substances and the composition of the discriminant information and sample quality, with high sensitivity, fast detection speed, easy operation and a sample analysis at low temperature, to better reflect the existing flavor state [12] of the sample.…”

Section: Introductionmentioning

confidence: 99%

Characterization of the Volatile Compounds of Zhenba Bacon at Different Process Stages Using GC–MS and GC–IMS

Zhang

et al. 2021

Foods

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Zhenba bacon (ZB), a type of Chinese traditional bacon with a long history, has attracted considerable attention in the Southwest of China for its unique flavor. To elucidate the changing course of aroma components during the process of ZB, four stages of process stages were assessed by GC–MS and GC–IMS coupled with multivariate data analysis. A total of 44 volatile compounds were identified by GC–IMS, including 5 esters, 8 alcohols, 12 aldehydes, 3 ketones, 1 furan and 2 sulfides; 40 volatile compounds were identified by GC–MS, 4 ketones, 7 phenols, 8 alcohols, 6 esters, 6 aldehydes, and 6 other compounds were detected. During the curing period, the amount and content of esters in Zhenba bacon gradually increased. Phenols appear in large quantities during the smoking period. The VOCs (volatile organic compounds) in the gallery plots were the most diverse in YZ samples, which are mainly esters. POV (peroxide value) and TBARS (thiobarbituric acid reactive substance) showed that lipid oxidation played an important role in the formation of volatile flavor components of bacon. This study provides valuable analytical data to explain the flavor formation of Zhenba bacon.

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Section: Introductionmentioning

confidence: 99%

Characterization of the Volatile Compounds of Zhenba Bacon at Different Process Stages Using GC–MS and GC–IMS

Zhang

et al. 2021

Foods

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“…Through simulation using the PeptideCutter server, the ten proteins were digested by typical enzymes of pepsin (pH1.3), pepsin (pH > 2.0), and trypsin, and a total of 733 peptides were obtained. Previous work has demonstrated that most anti-microbial peptides are composed of 20–50 amino acids and are rich in hydrophobic residues, including leucine, isoleucine, valine, phenylalanine, and tryptophan [ 30 ]. However, it has been reported that the relatively small size of the peptide allows for rapid diffusion and secretion of peptides outside the cells, which is a necessary condition for eliciting an immediate defense response against pathogenic microorganisms [ 26 ].…”

Section: Resultsmentioning

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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“…A model can be used to predict the affinities between smoked flavor components as ligands and the human bitter taste receptor, based on the synergy of the multiple linear regression, molecular docking, and electronic tongue. 12 Molecular docking and molecular dynamics simulations have been used to characterize the interaction of steviol glycoside (SG) with human bitter taste receptors at the molecular level. The results showed that SG has only one site for orthosteric binding to these receptors, and the binding free energy between the receptor and SG was negatively correlated with SG bitterness intensity.…”

Section: Introductionmentioning

confidence: 99%

Exploring the Molecular Interactions between Volatile Compounds in Coconut Shell Liquid Smoke and Human Bitter Taste TAS2R46 Based on the Molecular Docking and Molecular Dynamics

2023

TJNPR

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TAS2R46, a bitter taste receptor, is crucial for detecting harmful substances. Understanding its molecular interactions with bitter compounds could help develop bitter taste modulators for the food and pharmaceutical industries. However, such interactions had remained underexplored. A computational method was utilized in this investigation to examine the binding interactions between TAS2R46 and the bitter components of liquid smoke. By utilizing molecular docking and molecular dynamics simulations, one may analyze the modes of binding, the stability of these interactions, and the essential residues at the binding site. The human TAS2R46 protein (PDB ID 7XP6) had been selected for this study. Molecular docking was employed to predict the binding modes and affinity of the liquid smoke's ligands to the TAS2R46 receptor. Subsequently, molecular dynamics simulations were conducted to analyze the stability and dynamics of the TAS2R46-liquid smoke ligand complexes over a 100 ns timeframe. Our computational findings revealed that the nine teen-reported compounds of liquid smoke could indeed bind to TAS2R46. Delta energy component calculations had indicated the stability of these ligand-receptor complexes, with 1-(2,4,6-trihydroxyphenyl)-ethanone showing the most favorable binding energy. These results provided crucial insights into the molecular basis of bitter taste perception and may have implications for the food industry and drug development. In conclusion, this research bridged a critical knowledge gap by providing a molecular-level understanding of how TAS2R46 interacted with bitter compounds in liquid smoke.

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Exploring the Mechanism of Liquid Smoke and Human Taste Perception Based on the Synergy of the Electronic Tongue, Molecular Docking, and Multiple Linear Regression

Cited by 7 publications

References 48 publications

Characterization of the Volatile Compounds of Zhenba Bacon at Different Process Stages Using GC–MS and GC–IMS

Characterization of the Volatile Compounds of Zhenba Bacon at Different Process Stages Using GC–MS and GC–IMS

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

Exploring the Molecular Interactions between Volatile Compounds in Coconut Shell Liquid Smoke and Human Bitter Taste TAS2R46 Based on the Molecular Docking and Molecular Dynamics

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