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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

Siti Nur Athirah Mohd Kaspi, Nisha Govender and Zeti-Azura Mohamed-Hussein

Pertanika Journal of Social Science and Humanities, 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 0128-7702

e-ISSN 2231-8534

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