ArticleFrontiers in pharmacology2024
Identification of novel SARS-CoV-2 3CLpro inhibitors by molecular docking,
Article in Frontiers in pharmacology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Computational QSAR and structure-based identification of plerixafor-derived PIM-1 kinase inhibitors in diffuse large B-Cell lymphoma.Frontiers in chemistry · 2026Article
- Molecular biophysics of viral proteins: From mechanistic insights to microbiological and clinical applications.AIMS microbiology · 2026Review
- Genetic mutations disrupt the coordinated mode of tyrosinase's intra-melanosomal domain.Protein science : a publication of the Protein Society · 2025Article
- Leveraging multimodal learning for enhanced drug-target interaction prediction.Frontiers in pharmacology · 2025Article
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Authors and funding
11 authors.
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Abstract
Introduction: SARS-CoV-2 pandemic has presented a significant threat to global health and the economy, necessitating urgent efforts to develop effective antiviral drugs. The main protease (3CLpro) of SARS-CoV-2 is a critical target for antiviral therapy due to its essential role in viral replication. Methods: In order to find new structural types of 3CLpro inhibitors to facilitate the solution to the problem of new virus resistance. Six potential pharmacologically bioactive compounds were identified by utilizing structure-based virtual screening and Results and Discussion: Among these, compounds 34 and 36 exhibited potent inhibitory activity with IC
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