1. Characterization and identification of the key volatile and non-volatile substances of Vangueria madagascariensis J.F. Gmel fruits (Kirkir) and exploration of their binding interactions with olfactory and taste receptors using computational chemistry methodology.
- Author
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Tahir HE, Hashim SBH, Arslan M, Mahunu GK, Shishir MRI, Zhihua L, Khan S, Mariod AA, Abaker HAM, Ibrahim HE, El-Seedi HR, and Xiaobo Z
- Subjects
- Odorants analysis, Gas Chromatography-Mass Spectrometry, Receptors, Odorant chemistry, Receptors, Odorant metabolism, Tandem Mass Spectrometry, Plant Extracts chemistry, Plant Extracts metabolism, Humans, Chromatography, High Pressure Liquid, Fruit chemistry, Fruit metabolism, Volatile Organic Compounds chemistry, Volatile Organic Compounds metabolism, Molecular Docking Simulation, Taste
- Abstract
Profiling of metabolites that contribute to the taste and odor of fruit products is important to produce the desired products. In this study, volatile and non-volatile compounds were analyzed using SPME/GC-MS and UHPLC-Q-Exactive-orbitrap-MS/MS, respectively. A total of 59 volatiles (including alcohols, aldehydes, acids, terpenes, ketones, phenols, and hydrocarbons et al.) and 18 non-volatiles (including phenolic acids, flavones, flavonoids, glucosides, phenols, and quinic acid derivatives et al.) were detected in dried Kirkir fruits. The binding interactions between the key volatiles and the detected non-volatiles with taste and olfactory receptors were also evaluated. Based on the molecular docking, 11 volatile compounds may contribute to the overall odor, while 16 non-volatile compounds may contribute to the taste of the Kirkir fruits. In conclusion, in silico studies can serve as a powerful technique for understanding mechanisms of interaction and predicting the key phytochemicals that contribute to the odor and taste of fruits., Competing Interests: Declaration of competing interest The authors declare the following financial interests/personal relationships which may be considered as potential interests: Harron Elrasheid Tahir reports equipment, drugs, or, supplies was provided by Jiangsu University. Haroon Elrasheid Tahir reports a relationship with National Natural Science Foundation of China that includes: if there are other authors, they declare, that they have no known competing financial interests or personal relationships that could have appeared to inflence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)
- Published
- 2024
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