ArticleInternational journal of molecular sciences2021
SARS-CoV-2 Papain-Like Protease Potential Inhibitors-In Silico Quantitative Assessment.
Article in International journal of molecular sciences, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Recent Advances in the Design of Inhibitors Targeting the Viral Entry and Replication of the SARS-CoV-2 Virus, Driven by In Silico Approaches.Molecules (Basel, Switzerland) · 2026Review
- Article
- Progress of the "Molecular Informatics" Section in 2022.International journal of molecular sciences · 2023Article
- Recent advances in small-molecular therapeutics for COVID-19.Precision clinical medicine · 2022Review
- Amino acid variants of SARS-CoV-2 papain-like protease have impact on drug binding.PLoS computational biology · 2022Article
- Enzymes in the time of COVID-19: An overview about the effects in the human body, enzyme market, and perspectives for new drugs.Medicinal research reviews · 2022Review
- Synthesis, spectroscopic characterization of novel phthalimides derivatives bearing a 1,2,3-triazole unit and examination as potential SARS-CoV-2 inhibitors viaJournal of molecular structure · 2022Article
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Inhibitor induced conformational changes in SARS-COV-2 papain-like protease.Scientific reports · 2022Article
- A multi-targeted approach to identify potential flavonoids against three targets in the SARS-CoV-2 life cycle.Computers in biology and medicine · 2022Article
- SARS-COV-2 Coronavirus Papain-like Protease PLpro as an Antiviral Target for Inhibitors of Active Site and Protein-Protein Interactions.Biophysics · 2022Article
- Potential Inhibitors Targeting Papain-Like Protease of SARS-CoV-2: Two Birds With One Stone.Frontiers in chemistry · 2022Review
- Pharmacogenetics and Precision Medicine Approaches for the Improvement of COVID-19 Therapies.Frontiers in pharmacology · 2022Review
- Article
- Anti-HIV reverse transcriptase plant polyphenolic natural products with in silico inhibitory properties on seven non-structural proteins vital in SARS-CoV-2 pathogenesis.Journal, genetic engineering & biotechnology · 2021Article
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Authors and funding
5 authors.
Funding
Abstract
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) encodes the papain-like protease (PLpro). The protein not only plays an essential role in viral replication but also cleaves ubiquitin and ubiquitin-like interferon-stimulated gene 15 protein (ISG15) from host proteins, making it an important target for developing new antiviral drugs. In this study, we searched for novel, noncovalent potential PLpro inhibitors by employing a multistep in silico screening of a 15 million compound library. The selectivity of the best-scored compounds was evaluated by checking their binding affinity to the human ubiquitin carboxy-terminal hydrolase L1 (UCH-L1), which, as a deubiquitylating enzyme, exhibits structural and functional similarities to the PLpro. As a result, we identified 387 potential, selective PLpro inhibitors, from which we retrieved the 20 best compounds according to their IC
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