ArticleMolecular informatics2021
In silico Studies on the Interaction between Mpro and PLpro From SARS-CoV-2 and Ebselen, its Metabolites and Derivatives.
Article in Molecular informatics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
21 citing papers in PubMed, 44 citations in OpenAlex.
- Prospects of Innovative Therapeutics in Combating the COVID-19 Pandemic.Molecular biotechnology · 2025Review
- Article
- Recent Insights into Bioactive Dichalcogen Derivatives: From Small Molecules to Complex Materials.International journal of molecular sciences · 2025Review
- Protein allosteric site identification using machine learning and per amino acid residue reported internal protein nanoenvironment descriptors.Computational and structural biotechnology journal · 2024Article
- Bioengineered amyloid peptide for rapid screening of inhibitors against main protease of SARS-CoV-2.Nature communications · 2024Article
- Tuning the Softness of the Pendant Arms and the Polyazamacrocyclic Backbone to Chelate theInorganic chemistry · 2024Article
- Antiviral Effect of 5'-Arylchalcogeno-3-aminothymidine Derivatives in SARS-CoV-2 Infection.Molecules (Basel, Switzerland) · 2023Article
- Ebselen and Diphenyl Diselenide Inhibit SARS-CoV-2 Replication at Non-Toxic Concentrations to Human Cell Lines.Vaccines · 2023Article
- Diphenyl Diselenide and SARS-CoV-2:Journal of chemical information and modeling · 2023Article
- Acriflavine and proflavine hemisulfate as potential antivirals by targeting MBioorganic chemistry · 2022Article
- Recent advances in small-molecular therapeutics for COVID-19.Precision clinical medicine · 2022Review
- Reactivity and binding mode of disulfiram, its metabolites, and derivatives in SARS-CoV-2 PLJournal of molecular modeling · 2022Article
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies.Saudi journal of biological sciences · 2022Article
- Applications of density functional theory in COVID-19 drug modeling.Drug discovery today · 2022Review
- Article
- Small molecule interactions with the SARS-CoV-2 main protease: In silico all-atom microsecond MD simulations, PELE Monte Carlo simulations, and determination of in vitro activity inhibition.Journal of molecular graphics & modelling · 2022Article
- Potential of Marine Terpenoids against SARS-CoV-2: AnBiomedicines · 2021Article
- Selenium-Catalyzed Reduction of Hydroperoxides in Chemistry and Biology.Antioxidants (Basel, Switzerland) · 2021Review
- In silico Studies on the Interaction between Mpro and PLpro From SARS-CoV-2 and Ebselen, its Metabolites and Derivatives.Molecular informatics · 2021Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
7 authors at 3 institutions in 3 countries.
Funding
Abstract
The COVID-19 pandemic caused by the SARS-CoV-2 has mobilized scientific attention in search of a treatment. The cysteine-proteases, main protease (Mpro) and papain-like protease (PLpro) are important targets for antiviral drugs. In this work, we simulate the interactions between the Mpro and PLpro with Ebselen, its metabolites and derivatives with the aim of finding molecules that can potentially inhibit these enzymes. The docking data demonstrate that there are two main interactions between the thiol (-SH) group of Cys (from the protease active sites) and the electrophilic centers of the organoselenium molecules, i. e. the interaction with the carbonyl group (O=C
Indexed as
Identifiers
What OpenQuestion holds
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.