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Brief Communication: caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers (Orthosiphon stamineus) form stable complexes with SARS-CoV molecular targets: an in silico analysis

Cat’s whiskers or the ‘misai kucing’ is an herbal plant native to the Southeast Asian region. The polyphenol enriched leaf extract contains numerous medicinal properties of major pharmaceutical interest. In this study, selected cat’s whiskers polyphenols were screened computationally to predict the...

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Main Authors: Siti Nur Athirah Mohd Kaspi, Nisha Govender, Zeti Azura Mohamed Hussein
Format: Journal Contribution
Language:English
Published: 2023
Subjects:
Herbs (herbaceous plants)
Leaf extracts
Caffeic acid
Flavonoids
Polyphenols
Coronavirus
Hydrophobicity
Medicinal properties
Therapeutic substances
Online Access:http://agris.upm.edu.my:8080/dspace/handle/0/22438
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spelling oai:http:--agris.upm.edu.my:0-22438Brief Communication: caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers (Orthosiphon stamineus) form stable complexes with SARS-CoV molecular targets: an in silico analysisSiti Nur Athirah Mohd KaspiNisha GovenderZeti Azura Mohamed HusseinHerbs (herbaceous plants)Leaf extractsCaffeic acidFlavonoidsPolyphenolsCoronavirusHydrophobicityMedicinal propertiesTherapeutic substancesCat’s whiskers or the ‘misai kucing’ is an herbal plant native to the Southeast Asian region. The polyphenol enriched leaf extract contains numerous medicinal properties of major pharmaceutical interest. In this study, selected cat’s whiskers polyphenols were screened computationally to predict the minimum binding affinities with severe acute respiratory syndrome coronavirus (SARS-CoV) molecular targets. Molecular docking analysis showed that the caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers bound stably to the binding pocket regions of SARS-CoV molecular targets at – 4.2 to – 7.1 kcal/mol. Furthermore, these cat’s whiskers polyphenol-bound SARS-CoV complexes were held fairly strongly by hydrophobic interactions, hydrogen bonds, and electrostatic interactions at various extents.2023-03-28T08:08:11Z2023-03-28T08:08:11Z2022Journal ContributionArticleNon-RefereedPertanika Journal Tropical Agricultural Science (Malaysia), 45 (1), p. 235-2441511-3701http://agris.upm.edu.my:8080/dspace/handle/0/22438MY2023050440enhttp://www.pertanika.upm.edu.my/pjtas/browse/regular-issue?article=JTAS-2369-2021Malaysiahttp://www.oceandocs.org/license
institution AGRIS
collection AGRIS
language English
topic Herbs (herbaceous plants)
Leaf extracts
Caffeic acid
Flavonoids
Polyphenols
Coronavirus
Hydrophobicity
Medicinal properties
Therapeutic substances
spellingShingle Herbs (herbaceous plants)
Leaf extracts
Caffeic acid
Flavonoids
Polyphenols
Coronavirus
Hydrophobicity
Medicinal properties
Therapeutic substances
Siti Nur Athirah Mohd Kaspi
Nisha Govender
Zeti Azura Mohamed Hussein
Brief Communication: caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers (Orthosiphon stamineus) form stable complexes with SARS-CoV molecular targets: an in silico analysis
description Cat’s whiskers or the ‘misai kucing’ is an herbal plant native to the Southeast Asian region. The polyphenol enriched leaf extract contains numerous medicinal properties of major pharmaceutical interest. In this study, selected cat’s whiskers polyphenols were screened computationally to predict the minimum binding affinities with severe acute respiratory syndrome coronavirus (SARS-CoV) molecular targets. Molecular docking analysis showed that the caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers bound stably to the binding pocket regions of SARS-CoV molecular targets at – 4.2 to – 7.1 kcal/mol. Furthermore, these cat’s whiskers polyphenol-bound SARS-CoV complexes were held fairly strongly by hydrophobic interactions, hydrogen bonds, and electrostatic interactions at various extents.
format Journal Contribution
author Siti Nur Athirah Mohd Kaspi
Nisha Govender
Zeti Azura Mohamed Hussein
author_facet Siti Nur Athirah Mohd Kaspi
Nisha Govender
Zeti Azura Mohamed Hussein
author_sort Siti Nur Athirah Mohd Kaspi
title Brief Communication: caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers (Orthosiphon stamineus) form stable complexes with SARS-CoV molecular targets: an in silico analysis
title_short Brief Communication: caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers (Orthosiphon stamineus) form stable complexes with SARS-CoV molecular targets: an in silico analysis
title_full Brief Communication: caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers (Orthosiphon stamineus) form stable complexes with SARS-CoV molecular targets: an in silico analysis
title_fullStr Brief Communication: caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers (Orthosiphon stamineus) form stable complexes with SARS-CoV molecular targets: an in silico analysis
title_full_unstemmed Brief Communication: caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers (Orthosiphon stamineus) form stable complexes with SARS-CoV molecular targets: an in silico analysis
title_sort brief communication: caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers (orthosiphon stamineus) form stable complexes with sars-cov molecular targets: an in silico analysis
publishDate 2023
url http://agris.upm.edu.my:8080/dspace/handle/0/22438
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score 13.4562235

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