ArticleInternational journal of molecular sciences2020
Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds.
Article in International journal of molecular sciences, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 92 papers, 1 of them a synthesis that pooled it.
What it found
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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
92 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Insights into the Pharmacological Effects of Flavonoids: The Systematic Review of Computer Modeling.International journal of molecular sciences · 2022Pooled it
- Advancing Antiviral Design: Integrating Natural Products, Computation and Targeted Delivery.Chemical biology & drug design · 2026Review
- Computational Investigation of Flavonoid-Associated Molecular Pathways in Astrogliosis Modulation.The Yale journal of biology and medicine · 2026Article
- Modern Developing Directions in the Dihydroquercetin Study.Molecules (Basel, Switzerland) · 2025Review
- An Interpretable Deep Learning and Molecular Docking Framework for Repurposing Existing Drugs as Inhibitors of SARS-CoV-2 Main Protease.Molecules (Basel, Switzerland) · 2025Article
- In silico approaches to identify novel anti-diabetic type 2 agents against dipeptidyl peptidase IV from isoxazole derivatives of usnic acid.3 Biotech · 2025Article
- Research Progress on the Structure and Function, Immune Escape Mechanism, Antiviral Drug Development Methods, and Clinical Use of SARS-CoV-2 MMolecules (Basel, Switzerland) · 2025Review
- In Silico Identification of Potential Inhibitors of SARS-CoV-2 Main Protease (MPathogens (Basel, Switzerland) · 2024Article
- Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations.The journal of physical chemistry. B · 2024Article
- Insights into the stereoisomerism of dihydroquercetin: analytical and pharmacological aspects.Frontiers in chemistry · 2024Review
- Taxifolin Reduces Blood Pressure via Improvement of Vascular Function and Mitigating the Vascular Inflammatory Response in Spontaneously Hypertensive Rats.International journal of molecular sciences · 2023Article
- Protective Properties of Spheroidal Taxifolin Form in Streptozotocin-Induced Diabetic Rats.International journal of molecular sciences · 2023Article
- Flavonoid as possible therapeutic targets against COVID-19: a scoping review of in silico studies.Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences · 2023Article
- Progress of the "Molecular Informatics" Section in 2022.International journal of molecular sciences · 2023Article
- Efficient virtual high-content screening using a distance-aware transformer model.Journal of cheminformatics · 2023Article
- Article
- Solubility Enhancement of Dihydroquercetin via "Green" Phase Modification.International journal of molecular sciences · 2022Article
- Paving New Roads UsingIranian journal of pharmaceutical research : IJPR · 2022Review
- Targeting COVID-19 pandemic: in silico evaluation of 2-hydroxy-1, 2-diphenylethanone N(4)-methyl-N(4)-phenylthiosemicarbazone as a potential inhibitor of SARS-CoV-2.Structural chemistry · 2022Article
- AnJournal of biomolecular structure & dynamics · 2022Article
32 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The rapid outbreak of the novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in China followed by its spread around the world poses a serious global concern for public health. To this date, no specific drugs or vaccines are available to treat SARS-CoV-2 despite its close relation to the SARS-CoV virus that caused a similar epidemic in 2003. Thus, there remains an urgent need for the identification and development of specific antiviral therapeutics against SARS-CoV-2. To conquer viral infections, the inhibition of proteases essential for proteolytic processing of viral polyproteins is a conventional therapeutic strategy. In order to find novel inhibitors, we computationally screened a compound library of over 606 million compounds for binding at the recently solved crystal structure of the main protease (M
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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.