Antiviral Activity of Two Marine Carotenoids against SARS-CoV-2 Virus Entry In Silico and In Vitro

• Published in: International journal of molecular sciences 2021-06, Vol.22 (12), p.6481
• Main Authors: Yim, Sung-Kun, Kim, Inhee, Warren, Boyd, Kim, Jungwon, Jung, Kyoojin, Ku, Bosung
• Format: Article
• Language: English
• Subjects: ACE2; Algae; Angiotensin; Angiotensin-converting enzyme 2; Angiotensin-Converting Enzyme 2 - chemistry; Angiotensin-Converting Enzyme 2 - metabolism; Animals; Antioxidants; Antiviral activity; Antiviral Agents - chemistry; Antiviral Agents - pharmacology; Antiviral Agents - therapeutic use; Antiviral drugs; Binding Sites; Cancer; Carotenoids; Cell Survival - drug effects; Chlorophyta - chemistry; Chlorophyta - metabolism; Coronaviruses; COVID-19; COVID-19 - pathology; COVID-19 - virology; COVID-19 Drug Treatment; COVID-19 vaccines; Cytotoxicity; Disease transmission; Drug dosages; Fucoxanthin; Glycoproteins; Half-Life; HEK293 Cells; Humans; Industrial applications; Infections; Metabolism; Metabolites; Molecular docking; Molecular Docking Simulation; Obesity; Peptidyl-dipeptidase A; Phaeophyceae - chemistry; Phaeophyceae - metabolism; Pharmacokinetics; Rats; SARS-CoV-2 - isolation & purification; SARS-CoV-2 - physiology; Seaweeds; Severe acute respiratory syndrome coronavirus 2; Software; Spike Glycoprotein, Coronavirus - chemistry; Spike Glycoprotein, Coronavirus - metabolism; Viral infections; Virus Internalization - drug effects; Xanthophylls - chemistry; Xanthophylls - metabolism; Xanthophylls - pharmacology; Xanthophylls - therapeutic use
• ISSN: 1422-0067; 1661-6596; 1422-0067
• DOI: 10.3390/ijms22126481

The marine carotenoids fucoxanthin and siphonaxanthin are powerful antioxidants that are attracting focused attention to identify a variety of health benefits and industry applications. In this study, the binding energy of these carotenoids with the SARS-CoV-2 Spike-glycoprotein was predicted by molecular docking simulation, and their inhibitory activity was confirmed with SARS-CoV-2 pseudovirus on HEK293 cells overexpressing angiotensin-converting enzyme 2 (ACE2). Siphonaxanthin from showed significant antiviral activity with an IC50 of 87.4 μM against SARS-CoV-2 pseudovirus entry, while fucoxanthin from sporophyll did not. The acute toxicities were predicted to be relatively low, and pharmacokinetic predictions indicate GI absorption. Although further studies are needed to elucidate the inhibition of viral infection by siphonaxanthin, these results provide useful information in the application of these marine carotenoids for the treatment and prevention of COVID-19.