ArticleBiomedicines2021
Rutin Is a Low Micromolar Inhibitor of SARS-CoV-2 Main Protease 3CLpro: Implications for Drug Design of Quercetin Analogs.
Article in Biomedicines, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 45 papers, 2 of them syntheses that pooled it.
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Who cites it
45 citing papers in PubMed, 2 syntheses or guidelines pooled it, 86 citations in OpenAlex.
- A Review of In Silico Research, SARS-CoV-2, and Neurodegeneration: Focus on Papain-Like Protease.Neurotoxicity research · 2022Pooled it
- Promising Antiviral Activities of Natural Flavonoids against SARS-CoV-2 Targets: Systematic Review.International journal of molecular sciences · 2021Pooled it
- Evaluation of Phytochemical Constituents, Antioxidant Potential, and Toxicological Profile of Selected Medicinal Plants from Romania's Spontaneous Flora.Molecules (Basel, Switzerland) · 2026Article
- Bioactive Compounds ofInternational journal of molecular sciences · 2026Article
- Molecular Dynamics Simulations and Current Trends in Designing New Antivirals Targeting Proteases: A Review from 2018 to 2025.Current drug targets · 2026Review
- Antiviral activity of selected plant-derived polyphenols against Varicellovirus bovinealpha1 (BoAHV-1).AMB Express · 2025Article
- SARS-CoV-2 Main Protease Inhibitors from Natural Product Repository as Therapeutic Candidates for the Treatment of Coronaviridae Infections.Current medicinal chemistry · 2025Review
- New insights in the mechanism of the SARS-CoV-2 MScientific reports · 2024Article
- 3-chymotrypsin-like protease in SARS-CoV-2.Bioscience reports · 2024Review
- Exploring the therapeutic potential of Thai medicinal plants: in vitro screening and in silico docking of phytoconstituents for novel anti-SARS-CoV-2 agents.BMC complementary medicine and therapies · 2024Article
- Recent Advances in the Discovery of Novel Drugs on Natural Molecules.Biomedicines · 2024Article
- Therapeutic implications of quercetin and its derived-products in COVID-19 protection and prophylactic.Heliyon · 2024Review
- Dissecting CYP1A2 Activation by Arylalkanoic Acid Prodrugs toward the Development of Anti-Inflammatory Agents.International journal of molecular sciences · 2023Article
- Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review.European journal of medicinal chemistry · 2023Review
- Docking and Electronic Structure of Rutin, Myricetin, and Baicalein Targeting 3CLpro.International journal of molecular sciences · 2023Article
- Autochthonous Peruvian Natural Plants as Potential SARS-CoV-2 MPharmaceuticals (Basel, Switzerland) · 2023Article
- Comparative analysis of the reactivity of anthocyanidins, leucoanthocyanidins, and flavonols using a quantum chemistry approach.Journal of molecular modeling · 2023Article
- Article
- Natural flavonols: actions, mechanisms, and potential therapeutic utility for various diseases.Beni-Suef University journal of basic and applied sciences · 2023Review
- In silico andFrontiers in cellular and infection microbiology · 2023Article
Corrections and comments
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Authors and funding
10 authors at 3 institutions in 2 countries.
Funding
Abstract
The pandemic, due to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has stimulated the search for antivirals to tackle COVID-19 infection. Molecules with known pharmacokinetics and already approved for human use have been demonstrated or predicted to be suitable to be used either directly or as a base for a scaffold-based drug design. Among these substances, quercetin is known to be a potent in vitro inhibitor of 3CLpro, the SARS-CoV-2 main protease. However, its low in vivo bioavailability calls for modifications to its molecular structure. In this work, this issue is addressed by using rutin, a natural flavonoid that is the most common glycosylated conjugate of quercetin, as a model. Combining experimental (spectroscopy and calorimetry) and simulation techniques (docking and molecular dynamics simulations), we demonstrate that the sugar adduct does not hamper rutin binding to 3CLpro, and the conjugated compound preserves a high potency (inhibition constant in the low micromolar range,
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Registered trials
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 Socratic graph.