ArticleBioinformation2021
Comparative molecular docking and simulation analysis of molnupiravir and remdesivir with SARS-CoV-2 RNA dependent RNA polymerase (RdRp).
Article in Bioinformation, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
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Who cites it
29 citing papers in PubMed.
- Binding interactions of Trametes villosa and Trametes lactinea laccases with 4-nonylphenol and its intermediates: molecular docking and molecular dynamics approaches.Environmental science and pollution research international · 2026Article
- Computational analysis of lupenone derivatives as potential inhibitor of human papillomavirus oncoprotein E6 associated cervical cancer.Scientific reports · 2025Article
- Computer-aided design process of possible antisickling agents using molecular docking, pharmacokinetic assessment, homology modeling, and molecular dynamic studies targeting Hba protein.In silico pharmacology · 2025Article
- Novel NO-TZDs and trimethoxychalcone-based DHPMs: design, synthesis, and biological evaluation as potential VEGFR-2 inhibitors.Journal of enzyme inhibition and medicinal chemistry · 2024Article
- Sauerkraut-derived LAB strains as potential probiotic candidates for modulating carbohydrate digestion attributing bacterial organic acid profiling to antidiabetic activity.Food science & nutrition · 2024Article
- Binding studies of promethazine and its metabolites with human serum albumin by high-performance affinity chromatography and molecular docking in the presence of codeine.Analytical and bioanalytical chemistry · 2024Article
- Synthesis, molecular docking, analgesic, anti-inflammatory, and ulcerogenic evaluation of thiophene-pyrazole candidates as COX, 5-LOX, and TNF-α inhibitors.Inflammopharmacology · 2024Article
- Design and study of bioisosteric analogues of the drug Molnupiravir as potential therapeutics against SARS-COV-2: an in silico approach.In silico pharmacology · 2024Article
- Fermented sugarcane juice-derived probioticFrontiers in microbiology · 2024Article
- Novel Glu-based pyrazolo[3,4-d]pyrimidine analogues: design, synthesis and biological evaluation as DHFR and TS dual inhibitors.Journal of enzyme inhibition and medicinal chemistry · 2023Article
- Antimalarial drug discovery against malaria parasites through haplopine modification: An advanced computational approach.Journal of cellular and molecular medicine · 2023Article
- Molnupiravir: an antiviral drug against COVID-19.Archives of virology · 2023Review
- Antidiabetic Activity of Potential ProbioticsNutrients · 2023Article
- Integrative network pharmacology and in silico analyses identify the anti-omicron SARS-CoV-2 potential of eugenol.Heliyon · 2023Article
- Bioactive profiling and evaluation of anti-proliferative and anti-cancerous properties of Shivagutika, an Indian polyherbal formulation synchronizingFrontiers in chemistry · 2023Article
- Article
- Evaluation ofFrontiers in molecular biosciences · 2023Article
- Inhibition of carbohydrate hydrolyzing enzymes by a potential probioticFrontiers in microbiology · 2023Article
- Screening for potential novel probioticFrontiers in microbiology · 2023Article
- Anti-parasitic drug discovery againstFrontiers in cellular and infection microbiology · 2023Article
Corrections and comments
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Treatment of SARS-CoV-2 targeting its RNA dependent RNA polymerase (RdRp) is of current interest. Remdesivir has been approved for the treatment of COVID-19 around the world. However, the drug has been linked with pharmacological limitations like adverse effects and reduced efficiency. Nevertheless, recent advancements have depicted molnupiravir as an effective therapeutic agent to target the SARS-CoV-2 RdRp. The drug has cleared both in vitro and in vivo screening. It is in phase-III clinical trial. Nonetheless, there are no data on themolecular binding interaction of molnupiravir with RdRp. Therefore, it is of interest to report the binding interaction of molnupiravir using molecular docking. It is also of interest to show its stability during interaction using molecular dynamics and binding free energy calculations along with drug likeliness and pharmacokinetic properties in comparison with remdesivir.
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