e-ISSN 2231-8542
ISSN 1511-3701
Siti Nur Athirah Mohd Kaspi, Nisha Govender and Zeti-Azura Mohamed-Hussein
Pertanika Journal of Tropical Agricultural Science, Volume 45, Issue 1, February 2022
DOI: https://doi.org/10.47836/pjtas.45.1.13
Keywords: CoV-2, COVID-19, misai kucing, molecular docking, molecular target, polyphenol, SARS- therapeutics
Published on: 10 Febuary 2022
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.
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ISSN 1511-3701
e-ISSN 2231-8542