ArticleBioorganic chemistry2021
Novel inhibitors of the main protease enzyme of SARS-CoV-2 identified via molecular dynamics simulation-guided in vitro assay.
Article in Bioorganic chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers, 1 of them a synthesis that pooled it.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
22 citing papers in PubMed, 1 synthesis or guideline pooled it, 41 citations in OpenAlex.
- Psychotropic drug repurposing for COVID-19: A Systematic Review and Meta-Analysis.European neuropsychopharmacology : the journal of the European College of Neuropsychopharmacology · 2023Pooled it
- Saddle curvature association of nsP1 facilitates the replication complex assembly of Chikungunya virus in cells.Nature communications · 2025Article
- Hypericin Suppresses SARS-CoV-2 Replication and Synergizes with Antivirals via Dual Targeting of RdRp and 3CLpro.Microorganisms · 2025Article
- Antifungal activity and biocompatibility assessment with molecular docking and dynamic simulations of new pyrazole derivatives.BMC biotechnology · 2025Article
- On the origins of SARS-CoV-2 main protease inhibitors.RSC medicinal chemistry · 2024Review
- Article
- Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review.European journal of medicinal chemistry · 2023Review
- Screening of Multitarget-Directed Natural Compounds as Drug Candidates for Alzheimer's Disease UsingACS omega · 2023Article
- Anti-COVID-19 Potential of Ellagic Acid and Polyphenols ofMolecules (Basel, Switzerland) · 2023Review
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Interaction ofInternational journal of environmental research and public health · 2022Article
- Molecular Interactions of Tannic Acid with Proteins Associated with SARS-CoV-2 Infectivity.International journal of molecular sciences · 2022Article
- Phage Display-Derived Compounds Displace hACE2 from Its Complex with SARS-CoV-2 Spike Protein.Biomedicines · 2022Article
- Identification of Hypericin as a Candidate Repurposed Therapeutic Agent for COVID-19 and Its Potential Anti-SARS-CoV-2 Activity.Frontiers in microbiology · 2022Article
- The Mpro structure-based modifications of ebselen derivatives for improved antiviral activity against SARS-CoV-2 virus.Bioorganic chemistry · 2021Article
- Discovery of SARS-CoV-2 MChemical science · 2021Article
- New quinoline-triazole conjugates: Synthesis, and antiviral properties against SARS-CoV-2.Bioorganic chemistry · 2021Article
- GC-MS, LC-MS/MS, Docking and Molecular Dynamics Approaches to Identify Potential SARS-CoV-2 3-Chymotrypsin-Like Protease Inhibitors fromMolecules (Basel, Switzerland) · 2021Article
- Natural Products, Alone or in Combination with FDA-Approved Drugs, to Treat COVID-19 and Lung Cancer.Biomedicines · 2021Review
- Dataset of AMBER force field parameters of drugs, natural products and steroids for simulations using GROMACS.Data in brief · 2021Article
Corrections and comments
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Authors and funding
8 authors at 2 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
For the COVID-19 pandemic caused by SARS-CoV-2, there are currently no effective drugs or vaccines to treat this coronavirus infection. In this study, we focus on the main protease enzyme of SARS-CoV-2, 3CL
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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 OpenQuestion graph.