Herbs And Phytochemicals: Bioactive Compounds From Acorus Calamus Show Potential Against SARS-CoV-2 Viral Protease
Nikhil Prasad Fact checked by:Thailand Medical News Team Mar 10, 2024 9 months, 2 days, 1 hour, 44 minutes ago
Herbs And Phytochemicals: The 21st century has witnessed the unprecedented emergence of COVID-19, caused by the highly infectious SARS-CoV-2. While vaccination remains a crucial tool in combating viral diseases, the virus's constant mutation poses challenges to vaccine efficacy. In response, research has focused on viral protease inhibitors as a promising therapeutic strategy. Despite the existence of viral protease inhibitors, there is a need for more effective options. This
Herbs And Phytochemicals news report delves into the exploration of traditional Chinese medicine, specifically compounds from Acorus calamus, to identify potential antiviral candidates against SARS-CoV-2 proteases. The study was conducted by researchers from Hunan University of Chinese Medicine-China, China Pharmaceutical University, Nanjing-China, China Pharmaceutical University, Chongqing-China, Hunan Engineering Technology Research Center for Bioactive Substance Discovery of Chinese Medicine-China and the Hunan Province Sino-US International Joint Research Center for Therapeutic Drugs of Senile Degenerative Diseases-China
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Acorus Calamus (Sweet Flag)
Background on Coronaviruses and the Urgency for Broad-Spectrum Antiviral Drugs
Coronaviruses, belonging to the family Coronaviridae, have caused severe respiratory diseases in humans, including the outbreaks of SARS-CoV, MERS-CoV, and the ongoing COVID-19 pandemic. Vaccination, while effective, faces challenges due to viral mutations and concerns for immunocompromised individuals. Thus, there is an urgent need for broad-spectrum antiviral drugs to address the evolving landscape of coronavirus diseases.
Role of Viral Proteases in Coronavirus Replication
Once SARS-CoV-2 enters host cells, it relies on host cell machinery for replication. The main protease (Mpro) and papain-like protease (PLpro) play vital roles in cleaving precursor proteins for viral replication. Consequently, these proteases become key targets for drug development. Existing antiviral drugs, including nirmatrelvir, have shown promise against SARS-CoV-2 Mpro. However, limited natural product-derived inhibitors have been explored.
Acorus Calamus: Traditional Medical Herb with Potential Antiviral Properties
Acorus calamus, known as Changpu in traditional Chinese medicine, has a rich history of medicinal use, with references dating back to Shennong’s Classic of Materia Medica. Recognized for its phlegm-clearing and ‘awakening’ properties, calamus has been traditionally used for disease prevention and treatment. Recent research has explored its antimicrobial, antioxidant, anti-inflammatory, and anti-tumor effects. This study focuses on 24 isolated compounds from Acorus calamus to investigate their antiviral potential.
Experimental Approach and Screening Results
Researchers isolated 24 compounds from Acorus calamus and conducted in vitro enzyme activity inhibition screening against SARS-CoV-2 Mpro and PLpro. Notably, eight active components exhibited significant inhibitory effects, with compound 1R,5R,7S-guaiane-4R,10R-diol-6-one demonstrating the
most potent inhibitory activity against SARS-CoV-2 PLpro (IC50 = 0.386 ± 0.118 μM).
Molecular Docking Insights
Molecular docking techniques were employed to understand the interactions between the active compounds and SARS-CoV-2 Mpro and PLpro. All eight compounds exhibited good binding activity, forming stable complexes with the proteins. Compound 1, along with compounds 6, 18, 19, and 22, demonstrated hydrophobic interactions with key amino acid residues, ensuring stable bonds.
Druglikeness and Pharmacokinetics Assessment
The active compounds underwent druglikeness and pharmacokinetics assays to evaluate their potential for oral drug development. Results indicated high gastrointestinal absorption for all compounds, with most exhibiting good blood-brain barrier permeability. Lipinski's and other rule analyses suggested their suitability for oral drug development, except for compound 23, which showed inhibition of specific cytochrome isoforms.
Discussion and Implications
Viral protease inhibitors, crucial for COVID-19 treatment, often face limitations in clinical efficacy. This study focused on Acorus calamus, identifying eight active compounds with significant inhibitory effects on SARS-CoV-2 proteases. Compound 1 emerged as a potential lead with strong inhibitory activity against PLpro. Molecular docking confirmed stable interactions, providing insights for future drug design. Additionally, druglikeness assessments suggested the potential for oral drug development, emphasizing the importance of exploring natural products in the quest for effective antiviral drugs.
Conclusion and Future Directions
This research on Acorus calamus compounds unveils promising candidates for developing antiviral drugs against SARS-CoV-2. The identified active components, particularly 1R,5R,7S-guaiane-4R,10R-diol-6-one, demonstrate significant inhibitory effects, supporting their potential as therapeutic candidates. Future investigations should involve in-depth in vivo experiments and clinical trials to assess pharmacological properties, bioavailability, metabolic stability, toxicity, safety, and overall efficacy before considering real-world applications. As the global battle against COVID-19 continues, the exploration of traditional medicine may hold the key to novel and effective antiviral treatments.
The study findings were published in the peer reviewed journal: Pharmaceuticals.
https://www.mdpi.com/1424-8247/17/3/325
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