Molecular networking-based chemical profiling and anti-influenza viral and neuroprotective effects of Elaeocarpus hygrophilus Kurz.

Elaeocarpus hygrophilus Kurz. is a tropical tree that has recently been used for food and medicinal purposes. This study aimed to reveal the phytochemicals and evaluate the anti-influenza viral and neuroprotective effects of different parts of this plant including leaves, stems, fruit peels, and see...

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Main Authors: Thi Kim Quy Ha, Thi Phuong Doan, Ha Thanh Tung Pham, Ngoc Hieu Nguyen, Trong Tuan Nguyen, Thi Buu Hue Bui
Format: Bài trích
Language:eng
Published: Chemical Papers 2021
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Online Access:https://link.springer.com/article/10.1007%2Fs11696-021-01723-7
https://dlib.phenikaa-uni.edu.vn/handle/PNK/2818
https://doi.org/10.1007/s11696-021-01723-7
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spelling oai:localhost:PNK-28182022-08-17T05:54:48Z Molecular networking-based chemical profiling and anti-influenza viral and neuroprotective effects of Elaeocarpus hygrophilus Kurz. Thi Kim Quy Ha Thi Phuong Doan Ha Thanh Tung Pham Ngoc Hieu Nguyen Trong Tuan Nguyen Thi Buu Hue Bui Neuraminidase inhibitors Neuroprotective effects molecular networking Elaeocarpus hygrophilus Kurz. is a tropical tree that has recently been used for food and medicinal purposes. This study aimed to reveal the phytochemicals and evaluate the anti-influenza viral and neuroprotective effects of different parts of this plant including leaves, stems, fruit peels, and seeds. The study results indicated that the leaf extract was a potential candidate in the inhibition of the influenza viral replication through anti-neuraminidase receptors and attenuation of the glutamate-induced neuronal cell death and cellular oxidative stress. Using molecular networking as well as fragmentation, twenty-six known compounds were dereplicated from the leaves of E. hygrophilus. Molecular docking simulations of target proteins (PDB: 3CL0 and 4CXT) with these predicted compounds indicated that phenolic compounds from the EtOH leaf extract may be considered as active components for treating not only neuraminidase inhibitor-resistant strains but also activating Keap1/Nrf2 pathway. The anti-influenza viral and neuroprotective effects of the leaf extract and the link between the two activities could significantly contribute to the development of natural product drugs for influenza treatment and prevention of neuropsychiatric adverse events. These results suggested further research about the phytochemicals and the bio-guided isolation of the most active fractions from the leaf extract and their respective herbal drug formulations, with effective and secure aspects, to low-income populations of the tropics. 2021-09-13T04:24:47Z 2021-09-13T04:24:47Z 2021 Bài trích https://link.springer.com/article/10.1007%2Fs11696-021-01723-7 https://dlib.phenikaa-uni.edu.vn/handle/PNK/2818 https://doi.org/10.1007/s11696-021-01723-7 eng Chemical Papers
institution Digital Phenikaa
collection Digital Phenikaa
language eng
topic Neuraminidase inhibitors
Neuroprotective effects
molecular networking
spellingShingle Neuraminidase inhibitors
Neuroprotective effects
molecular networking
Thi Kim Quy Ha
Thi Phuong Doan
Ha Thanh Tung Pham
Ngoc Hieu Nguyen
Trong Tuan Nguyen
Thi Buu Hue Bui
Molecular networking-based chemical profiling and anti-influenza viral and neuroprotective effects of Elaeocarpus hygrophilus Kurz.
description Elaeocarpus hygrophilus Kurz. is a tropical tree that has recently been used for food and medicinal purposes. This study aimed to reveal the phytochemicals and evaluate the anti-influenza viral and neuroprotective effects of different parts of this plant including leaves, stems, fruit peels, and seeds. The study results indicated that the leaf extract was a potential candidate in the inhibition of the influenza viral replication through anti-neuraminidase receptors and attenuation of the glutamate-induced neuronal cell death and cellular oxidative stress. Using molecular networking as well as fragmentation, twenty-six known compounds were dereplicated from the leaves of E. hygrophilus. Molecular docking simulations of target proteins (PDB: 3CL0 and 4CXT) with these predicted compounds indicated that phenolic compounds from the EtOH leaf extract may be considered as active components for treating not only neuraminidase inhibitor-resistant strains but also activating Keap1/Nrf2 pathway. The anti-influenza viral and neuroprotective effects of the leaf extract and the link between the two activities could significantly contribute to the development of natural product drugs for influenza treatment and prevention of neuropsychiatric adverse events. These results suggested further research about the phytochemicals and the bio-guided isolation of the most active fractions from the leaf extract and their respective herbal drug formulations, with effective and secure aspects, to low-income populations of the tropics.
format Bài trích
author Thi Kim Quy Ha
Thi Phuong Doan
Ha Thanh Tung Pham
Ngoc Hieu Nguyen
Trong Tuan Nguyen
Thi Buu Hue Bui
author_facet Thi Kim Quy Ha
Thi Phuong Doan
Ha Thanh Tung Pham
Ngoc Hieu Nguyen
Trong Tuan Nguyen
Thi Buu Hue Bui
author_sort Thi Kim Quy Ha
title Molecular networking-based chemical profiling and anti-influenza viral and neuroprotective effects of Elaeocarpus hygrophilus Kurz.
title_short Molecular networking-based chemical profiling and anti-influenza viral and neuroprotective effects of Elaeocarpus hygrophilus Kurz.
title_full Molecular networking-based chemical profiling and anti-influenza viral and neuroprotective effects of Elaeocarpus hygrophilus Kurz.
title_fullStr Molecular networking-based chemical profiling and anti-influenza viral and neuroprotective effects of Elaeocarpus hygrophilus Kurz.
title_full_unstemmed Molecular networking-based chemical profiling and anti-influenza viral and neuroprotective effects of Elaeocarpus hygrophilus Kurz.
title_sort molecular networking-based chemical profiling and anti-influenza viral and neuroprotective effects of elaeocarpus hygrophilus kurz.
publisher Chemical Papers
publishDate 2021
url https://link.springer.com/article/10.1007%2Fs11696-021-01723-7
https://dlib.phenikaa-uni.edu.vn/handle/PNK/2818
https://doi.org/10.1007/s11696-021-01723-7
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