ArticleJournal of biomolecular screening2006
Discovering severe acute respiratory syndrome coronavirus 3CL protease inhibitors: virtual screening, surface plasmon resonance, and fluorescence resonance energy transfer assays.
Article in Journal of biomolecular screening, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
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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
23 citing papers in PubMed.
- Ayurvedic and Chinese Herbs against Coronaviruses.Current pharmaceutical design · 2024Review
- Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review.European journal of medicinal chemistry · 2023Review
- Article
- Evaluation of RevX solution extract as a potential inhibitor of the main protease of SARS-CoV-2-Heliyon · 2022Article
- Discovery of 9,10-dihydrophenanthrene derivatives as SARS-CoV-2 3CLEuropean journal of medicinal chemistry · 2022Article
- Perspectives on SARS-CoV-2 Main Protease Inhibitors.Journal of medicinal chemistry · 2021Review
- Design and synthesis of pyrazolone-based compounds as potent blockers of SARS-CoV-2 viral entry into the host cells.Journal of molecular structure · 2021Article
- Flavonoids in Ampelopsis grossedentata as covalent inhibitors of SARS-CoV-2 3CLInternational journal of biological macromolecules · 2021Article
- Identification of Vitamin K3 and its analogues as covalent inhibitors of SARS-CoV-2 3CLInternational journal of biological macromolecules · 2021Article
- Discovery of naturally occurring inhibitors against SARS-CoV-2 3CLFitoterapia · 2021Article
- Investigation of beta-lactoglobulin derived bioactive peptides against SARS-CoV-2 (COVID-19): In silico analysis.European journal of pharmacology · 2021Article
- The recent outbreaks of human coronaviruses: A medicinal chemistry perspective.Medicinal research reviews · 2021Review
- Role of plasmonics in detection of deadliest viruses: a review.European physical journal plus · 2021Review
- Screening and evaluation of approved drugs as inhibitors of main protease of SARS-CoV-2.International journal of biological macromolecules · 2020Article
- Artificial intelligence approach fighting COVID-19 with repurposing drugs.Biomedical journal · 2020Article
- Molecular Investigation of SARS-CoV-2 Proteins and Their Interactions with Antiviral Drugs.Viruses · 2020Article
- An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy.Journal of medicinal chemistry · 2016Review
- The essential roles of chemistry in high-throughput screening triage.Future medicinal chemistry · 2014Review
- Application of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1).PloS one · 2012Article
- Mechanism for noncompetitive inhibition by novel GluN2C/D N-methyl-D-aspartate receptor subunit-selective modulators.Molecular pharmacology · 2011Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
An integrated system has been developed for discovering potent inhibitors of severe acute respiratory syndrome coronavirus 3C-like protease (SARS-CoV 3CL(pro)) by virtual screening correlating with surface plasmon resonance (SPR) and fluorescence resonance energy transfer (FRET) technologies-based assays. The authors screened 81,287 small molecular compounds against SPECS database by virtual screening; 256 compounds were subsequently selected for biological evaluation. Through SPR technology-based assay, 52 from these 256 compounds were discovered to show binding to SARS-CoV 3CL(pro). The enzymatic inhibition activities of these 52 SARS-CoV 3CL(pro) binders were further applied to FRET-based assay, and IC(50) values were determined. Based on this integrated assay platform, 8 new SARS-CoV 3CL(pro) inhibitors were discovered. The fact that the obtained IC(50) values for the inhibitors are in good accordance with the discovered dissociation equilibrium constants (K(D)s) assayed by SPR implied the reliability of this platform. Our current work is hoped to supply a powerful approach in the discovery of potent SARS-CoV 3CL(pro) inhibitors, and the determined inhibitors could be used as possible lead compounds for further research.
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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.