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


Citation

Siti Nur Athirah Mohd Kaspi, . and Nisha Govender, . and Zeti Azura Mohamed Hussein, . Brief Communication: caffeic acid derivatives and polymethoxylated flavonoids from cats whiskers (Orthosiphon stamineus) form stable complexes with SARS-CoV molecular targets: an in silico analysis. pp. 235-244. ISSN 1511-3701

Abstract

Cats 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 cats 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 cats whiskers bound stably to the binding pocket regions of SARS-CoV molecular targets at “ 4.2 to “ 7.1 kcal/mol. Furthermore these cats whiskers polyphenol-bound SARS-CoV complexes were held fairly strongly by hydrophobic interactions hydrogen bonds and electrostatic interactions at various extents.


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Abstract

Cats 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 cats 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 cats whiskers bound stably to the binding pocket regions of SARS-CoV molecular targets at “ 4.2 to “ 7.1 kcal/mol. Furthermore these cats whiskers polyphenol-bound SARS-CoV complexes were held fairly strongly by hydrophobic interactions hydrogen bonds and electrostatic interactions at various extents.

Additional Metadata

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Item Type: Article
AGROVOC Term: Herbs (herbaceous plants)
AGROVOC Term: Leaf extracts
AGROVOC Term: Caffeic acid
AGROVOC Term: Flavonoids
AGROVOC Term: Polyphenols
AGROVOC Term: Coronavirus
AGROVOC Term: Hydrophobicity
AGROVOC Term: Medicinal properties
AGROVOC Term: Therapeutic substances
Depositing User: Mr. AFANDI ABDUL MALEK
Last Modified: 24 Apr 2025 00:55
URI: http://webagris.upm.edu.my/id/eprint/10365

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