ArticleJournal of biomolecular structure & dynamics2022
Marine algal antagonists targeting 3CL protease and spike glycoprotein of SARS-CoV-2: a computational approach for anti-COVID-19 drug discovery.
Article in Journal of biomolecular structure & dynamics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 26 citations in OpenAlex.
- Comprehensive Phytochemical and Biological Evaluation ofInternational journal of analytical chemistry · 2026Article
- Phytochemical Analysis and Compound Profiling ofAnalytical science advances · 2025Article
- Marine-Derived Peptides fromMicroorganisms · 2025Article
- Computational andFrontiers in pharmacology · 2025Article
- Marine-Derived Bioactive Metabolites as a Potential Therapeutic Intervention in Managing Viral Diseases: Insights from the SARS-CoV-2 In Silico and Pre-Clinical Studies.Pharmaceuticals (Basel, Switzerland) · 2024Review
- In Silico Models for Anti-COVID-19 Drug Discovery: A Systematic Review.Advances in pharmacological and pharmaceutical sciences · 2023Review
- Probing marine brown macroalgal phlorotannins as antiviral candidate against SARS-CoV-2: molecular docking and dynamics simulation approach.Molecular diversity · 2022Article
- The vital role of animal, marine, and microbial natural products against COVID-19.Pharmaceutical biology · 2022Review
- Focus on Marine Animal Safety and Marine Bioresources in Response to the SARS-CoV-2 Crisis.International journal of molecular sciences · 2022Review
- Immunostimulatory Activity ofMicroorganisms · 2022Article
- Derivation, Functionalization of (S)-Goniothalamin fromMolecules (Basel, Switzerland) · 2022Article
- Evaluation of Nutritional Substances and Investigation of Antioxidant and Antimicrobial Potentials ofMolecules (Basel, Switzerland) · 2022Article
- Sulfated Polysaccharides Derived fromEvidence-based complementary and alternative medicine : eCAM · 2022Article
- Evaluation of Clove Phytochemicals as Potential Antiviral Drug Candidates Targeting SARS-CoV-2 Main Protease: Computational Docking, Molecular Dynamics Simulation, and Pharmacokinetic Profiling.Frontiers in molecular biosciences · 2022Article
Corrections and comments
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Authors and funding
9 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The COVID-19 pandemic has severely destructed human life worldwide, with no suitable treatment until now. SARS-CoV-2 virus is unprecedented, resistance against number of therapeutics and spreading rapidly with high mortality, which warrants the need to discover new effective drugs to combat this situation. This current study is undertaken to explore the antiviral potential of marine algal compounds to inhibit the viral entry and its multiplication using computational analysis. Among the proven drug discovery targets of SARS-CoV-2, spike glycoprotein and 3-chymotrypsin-like protease are responsible for the virus attachment and viral genome replication in the host cell. In this study, the above-mentioned drug targets were docked with marine algal compounds (sulfated polysaccharides, polysaccharide derivatives and polyphenols) using molecular docking tools (AutoDockTools). The obtained results indicate that κ-carrageenan, laminarin, eckol, trifucol and β-D-galactose are the top-ranking compounds showing better docking scores with SARS-CoV-2 targets, than the current experimental COVID-19 antiviral drugs like dexamethasone, remdesivir, favipiravir and MIV-150. Further, molecular dynamic simulation, ADMET and density functional theory calculations were evaluated to substantiate the findings. To the best of our knowledge, this is the first report on
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