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Possibility for detecting 14 typical odorants occurring in drinking water by employing human odor-binding protein OBP2a

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Title: Possibility for detecting 14 typical odorants occurring in drinking water by employing human odor-binding protein OBP2a
Authors: Xinying Chang, Fuguo Qiu, Chunmiao Wang, Yaohan Qian, Yongxin Zhang, Qingyuan Guo, Qi Wang, Shihao Wang, Min Yang, Jianwei Yu
Source: Environmental Sciences Europe, Vol 35, Iss 1, Pp 1-12 (2023)
Publisher Information: SpringerOpen, 2023.
Publication Year: 2023
Collection: LCC:Environmental sciences
LCC:Environmental law
Subject Terms: Odor-causing compounds, Odor-binding proteins, Binding properties, Binding mechanism, Drinking water, Environmental sciences, GE1-350, Environmental law, K3581-3598
More Details: Abstract Odor issues occurring in drinking water have been a big challenge to face for water suppliers globally, which highly commend to develop quick or on-site odor detection tools for the management of odor problems. Olfactory sensors based on odor-binding proteins (OBPs) have been utilized to analyze pollutants in food and air samples, while their application for the detection of typical odor-causing compounds in drinking water is rarely reported, partly due to the lack of knowledge about the binding properties of odorants. In this study, the binding affinity and mechanism of human odor-binding protein OBP2a to 14 typical odorants in water were first assessed using fluorescent competitive binding assays and molecular docking techniques. The 14 odorants include 7 aldehydes, 2 terpenes, 2 thioethers, bis(2-chloro-1-methylethyl) ether (DCIP), 2-ethyl-4-methyl-1,3-dioxolane (2E4MDL), and 2-isobutyl-3-methoxypyrazine (IBMP). The results showed that OBP2a could bind to 9 odorants (Ki = 29.91 μmol/L–48.36 μmol/L), including IBMP, 2-MIB, and six aldehydes (hexanal, heptanal, benzaldehyde, 2-octenal, decanal, and β-cyclocitral), among which stronger binding affinity for aldehydes is observed (Ki = 29.91 μmol/L–43.87 μmol/L). Molecular docking confirmed that Lys112 and Phe97 are major amino acid residues involved in the binding of the most target odorants. To be specific, IBMP and aldehydes can form hydrogen bonds with Lys112; aromatic ring-containing odorants such as IBMP and benzaldehyde can also form pi–pi stacking with Phe97. The binding affinity of OBP2a to fatty aldehydes including hexanal, heptanal, 2-octenal, decanal, and β-cyclocitral increased with the increase of hydrophobicity of aldehydes. The valuable information to the binding of OBP2a to typical odorants in this study would provide a theoretical foundation for the development of OBP-based odor detection biosensors to achieve quick detection in drinking water, further helping the improvement of water treatment processes in the water industry. Graphical Abstract
Document Type: article
File Description: electronic resource
Language: English
ISSN: 2190-4715
Relation: https://doaj.org/toc/2190-4715
DOI: 10.1186/s12302-023-00746-z
Access URL: https://doaj.org/article/9888834807054156b9b2f25f98b0323f
Accession Number: edsdoj.9888834807054156b9b2f25f98b0323f
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  Data: Possibility for detecting 14 typical odorants occurring in drinking water by employing human odor-binding protein OBP2a
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  Data: <searchLink fieldCode="AR" term="%22Xinying+Chang%22">Xinying Chang</searchLink><br /><searchLink fieldCode="AR" term="%22Fuguo+Qiu%22">Fuguo Qiu</searchLink><br /><searchLink fieldCode="AR" term="%22Chunmiao+Wang%22">Chunmiao Wang</searchLink><br /><searchLink fieldCode="AR" term="%22Yaohan+Qian%22">Yaohan Qian</searchLink><br /><searchLink fieldCode="AR" term="%22Yongxin+Zhang%22">Yongxin Zhang</searchLink><br /><searchLink fieldCode="AR" term="%22Qingyuan+Guo%22">Qingyuan Guo</searchLink><br /><searchLink fieldCode="AR" term="%22Qi+Wang%22">Qi Wang</searchLink><br /><searchLink fieldCode="AR" term="%22Shihao+Wang%22">Shihao Wang</searchLink><br /><searchLink fieldCode="AR" term="%22Min+Yang%22">Min Yang</searchLink><br /><searchLink fieldCode="AR" term="%22Jianwei+Yu%22">Jianwei Yu</searchLink>
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  Data: Environmental Sciences Europe, Vol 35, Iss 1, Pp 1-12 (2023)
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  Data: Abstract Odor issues occurring in drinking water have been a big challenge to face for water suppliers globally, which highly commend to develop quick or on-site odor detection tools for the management of odor problems. Olfactory sensors based on odor-binding proteins (OBPs) have been utilized to analyze pollutants in food and air samples, while their application for the detection of typical odor-causing compounds in drinking water is rarely reported, partly due to the lack of knowledge about the binding properties of odorants. In this study, the binding affinity and mechanism of human odor-binding protein OBP2a to 14 typical odorants in water were first assessed using fluorescent competitive binding assays and molecular docking techniques. The 14 odorants include 7 aldehydes, 2 terpenes, 2 thioethers, bis(2-chloro-1-methylethyl) ether (DCIP), 2-ethyl-4-methyl-1,3-dioxolane (2E4MDL), and 2-isobutyl-3-methoxypyrazine (IBMP). The results showed that OBP2a could bind to 9 odorants (Ki = 29.91 μmol/L–48.36 μmol/L), including IBMP, 2-MIB, and six aldehydes (hexanal, heptanal, benzaldehyde, 2-octenal, decanal, and β-cyclocitral), among which stronger binding affinity for aldehydes is observed (Ki = 29.91 μmol/L–43.87 μmol/L). Molecular docking confirmed that Lys112 and Phe97 are major amino acid residues involved in the binding of the most target odorants. To be specific, IBMP and aldehydes can form hydrogen bonds with Lys112; aromatic ring-containing odorants such as IBMP and benzaldehyde can also form pi–pi stacking with Phe97. The binding affinity of OBP2a to fatty aldehydes including hexanal, heptanal, 2-octenal, decanal, and β-cyclocitral increased with the increase of hydrophobicity of aldehydes. The valuable information to the binding of OBP2a to typical odorants in this study would provide a theoretical foundation for the development of OBP-based odor detection biosensors to achieve quick detection in drinking water, further helping the improvement of water treatment processes in the water industry. Graphical Abstract
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