Caffeic acid derivatives and polymethoxylated flavonoids from cat's whiskers (Orthosiphon stamineus) form stable complexes with SARS-CoV molecular targets: an in silico analysis
Pertanika Journal of Tropical Agricultural Science
; 45(1):235-244, 2022.
Article
in English
| CAB Abstracts | ID: covidwho-1727536
ABSTRACT
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.
Pesticides and Drugs; Control [HH405]; Non-food/Non-feed Plant Products [SS200]; Prion, Viral, Bacterial and Fungal Pathogens of Humans [VV210]; Animal and in vitro Models for Pharmaceuticals [VV450]; caffeic acid; derivatives; flavonoids; medicinal plants; plant extracts; antiviral properties; pathogens; polyphenols; hydrophobicity; hydrogen bonding; Orthosiphon aristatus; Severe acute respiratory syndrome coronavirus; plants; Orthosiphon; Lamiaceae; Lamiales; eudicots; angiosperms; Spermatophyta; eukaryotes; Severe acute respiratory syndrome-related coronavirus; Betacoronavirus; Coronavirinae; Coronaviridae; Nidovirales; positive-sense ssRNA Viruses; ssRNA Viruses; RNA Viruses; viruses; Orthosiphon stamineus; drug plants; medicinal herbs; officinal plants; anti-viral properties
Full text:
Available
Collection:
Databases of international organizations
Database:
CAB Abstracts
Language:
English
Journal:
Pertanika Journal of Tropical Agricultural Science
Year:
2022
Document Type:
Article
Similar
MEDLINE
...
LILACS
LIS