ArticleFrontiers in microbiology2020
Molecular Docking Reveals Ivermectin and Remdesivir as Potential Repurposed Drugs Against SARS-CoV-2.
Article in Frontiers in microbiology, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 48 papers.
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Who cites it
48 citing papers in PubMed, 98 citations in OpenAlex.
- The effect of ivermectin on the viral load and culture viability in early treatment of nonhospitalized patients with mild COVID-19 - a double-blind, randomized placebo-controlled trial.International journal of infectious diseases : IJID : official publication of the International Society for Infectious Diseases · 2022Trial
- Article
- Global research hotspots, trends, and future directions of ivermectin research: an informatics investigation (2020-2025).Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- NMR and GC-MS based metabolic profiling, total phenolic content, antibacterial, antioxidant, anticancer and In-silico antiviral activity of Origanum ramonense plant.Scientific reports · 2025Article
- Membrane Perturbations and Assay Interferences by Ivermectin Explain Its In Vitro SARS-CoV-2 Antiviral Activities and Lack of Translatability.Journal of medicinal chemistry · 2025Review
- Ivermectin inhibits replication of porcine deltacoronavirusJournal of veterinary science · 2025Article
- Predicting the Anti-SARS-CoV-2 Potential of Isoquinoline Alkaloids from Brazilian Siparunaceae Species Using Chemometric Tools.International journal of molecular sciences · 2025Article
- Article
- Bioinformatics and molecular biology tools for diagnosis, prevention, treatment and prognosis of COVID-19.Heliyon · 2024Review
- Binding behavior of receptor binding domain of the SARS-CoV-2 virus and ivermectin.Scientific reports · 2024Article
- Inhibition of SARS-CoV-2 3CL protease by the anti-viral chimeric protein RetroMAD1.Scientific reports · 2023Article
- Anti-COVID-19, Anti-Inflammatory, and Anti-Osteoarthritis Activities of Sesamin fromBioengineering (Basel, Switzerland) · 2023Article
- Repurposing and computational design of PARP inhibitors as SARS-CoV-2 inhibitors.Scientific reports · 2023Article
- DecipheringJournal of the Taiwan Institute of Chemical Engineers · 2023Article
- Molecular Screening of Bioactive Compounds of Garlic for Therapeutic Effects against COVID-19.Biomedicines · 2023Article
- A cellular and molecular biology-based update for ivermectin against COVID-19: is it effective or non-effective?Inflammopharmacology · 2023Review
- Comparison of Different Antiviral Regimens in the Treatment of Patients with Severe COVID-19: A Retrospective Cohort.Medicina (Kaunas, Lithuania) · 2023Article
- Developing a multi-epitope vaccine candidate to combat porcine epidemic diarrhea virus and porcine deltacoronavirus co-infection by employing an immunoinformatics approach.Frontiers in microbiology · 2023Article
- Symmetrical peripheral gangrene: potential mechanisms and therapeutic approaches in severe COVID-19.Frontiers in cardiovascular medicine · 2023Review
- Article
Corrections and comments
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Authors and funding
3 authors at 3 institutions in 4 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
SARS-CoV-2 is a newly emerged coronavirus that causes a respiratory disease with variable severity and fatal consequences. It was first reported in Wuhan and subsequently caused a global pandemic. The viral spike protein binds with the ACE-2 cell surface receptor for entry, while TMPRSS2 triggers its membrane fusion. In addition, RNA dependent RNA polymerase (RdRp), 3'-5' exoribonuclease (nsp14), viral proteases, N, and M proteins are important in different stages of viral replication. Accordingly, they are attractive targets for different antiviral therapeutic agents. Although many antiviral agents have been used in different clinical trials and included in different treatment protocols, the mode of action against SARS-CoV-2 is still not fully understood. Different potential repurposed drugs, including, chloroquine, hydroxychloroquine, ivermectin, remdesivir, and favipiravir, were screened in the present study. Molecular docking of these drugs with different SARS-CoV-2 target proteins, including spike and membrane proteins, RdRp, nucleoproteins, viral proteases, and nsp14, was performed. Moreover, the binding affinities of the human ACE-2 receptor and TMPRSS2 to the different drugs were evaluated. Molecular dynamics simulation and MM-PBSA calculation were also conducted. Ivermectin and remdesivir were found to be the most promising drugs. Our results suggest that both these drugs utilize different mechanisms at the entry and post-entry stages and could be considered potential inhibitors of SARS-CoV-2 replication.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.