ArticleFrontiers in molecular biosciences2022
Evaluation of Clove Phytochemicals as Potential Antiviral Drug Candidates Targeting SARS-CoV-2 Main Protease: Computational Docking, Molecular Dynamics Simulation, and Pharmacokinetic Profiling.
Article in Frontiers in molecular biosciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers, 1 of them a synthesis that pooled it.
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Who cites it
10 citing papers in PubMed, 1 synthesis or guideline pooled it, 26 citations in OpenAlex.
- The Antiviral Potential ofMolecules (Basel, Switzerland) · 2024Pooled it
- Biological activities (antimicrobial, anti-inflammatory, anti-coronavirus (229E)) and chemical composition of some essential oils.Scientific reports · 2026Article
- Discovery of potential antiviral compounds and accelerating the therapeutic discovery against monkeypox virus.Scientific reports · 2026Article
- An exploratory binding study of molnupiravir efficacy against emerging Omicron SARS-CoV-2 variants.Scientific reports · 2025Article
- Clove (Pharmaceuticals (Basel, Switzerland) · 2025Article
- Dihydropyrimidine-2-thione derivatives as SARS-CoV-2 main protease inhibitors: synthesis, SAR andRSC advances · 2025Article
- COVID-19 in Dental Practice Is Prevented by Eugenol Responsible for the Ambient Odor Specific to Dental Offices: Possibility and Speculation.Medical principles and practice : international journal of the Kuwait University, Health Science Centre · 2024Review
- Antiviral Potential of Plants against COVID-19 during Outbreaks-An Update.International journal of molecular sciences · 2022Review
- Identification of natural compounds as SARS-CoV-2 inhibitorsFrontiers in microbiology · 2022Article
- Herbo-mineral formulation, Divya-Swasari-Vati averts SARS-CoV-2 pseudovirus entry into human alveolar epithelial cells by interfering with spike protein-ACE 2 interaction and IL-6/TNF-α /NF-κB signaling.Frontiers in pharmacology · 2022Article
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Authors and funding
8 authors at 7 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus can cause a sudden respiratory disease spreading with a high mortality rate arising with unknown mechanisms. Still, there is no proper treatment available to overcome the disease, which urges the research community and pharmaceutical industries to screen a novel therapeutic intervention to combat the current pandemic. This current study exploits the natural phytochemicals obtained from clove, a traditional natural therapeutic that comprises important bioactive compounds used for targeting the main protease of SARS-CoV-2. As a result, inhibition of viral replication effectively procures by targeting the main protease, which is responsible for the viral replication inside the host. Pharmacokinetic studies were evaluated for the property of drug likeliness. A total of 53 bioactives were subjected to the study, and four among them, namely, eugenie, syzyginin B, eugenol, and casuarictin, showed potential binding properties against the target SARS-CoV-2 main protease. The resultant best bioactive was compared with the commercially available standard drugs. Furthermore, validation of respective compounds with a comprehensive molecular dynamics simulation was performed using Schrödinger software. To further validate the bioactive phytochemicals and delimit the screening process of potential drugs against coronavirus disease 2019,
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