ArticleBiomolecules2020
Recognition of Potential COVID-19 Drug Treatments through the Study of Existing Protein-Drug and Protein-Protein Structures: An Analysis of Kinetically Active Residues.
Article in Biomolecules, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Generating Potential Protein-Protein Interaction Inhibitor Molecules Based on Physicochemical Properties.Molecules (Basel, Switzerland) · 2023Article
- A correlation coefficient-based feature selection approach for virus-host protein-protein interaction prediction.PloS one · 2023Article
- Identification of multi-targeting natural antiviral peptides to impede SARS-CoV-2 infection.Structural chemistry · 2022Article
- SARS-CoV-2 RNA-dependent RNA polymerase as a therapeutic target for COVID-19.Expert opinion on therapeutic patents · 2021Review
- Mechanism for the Unfolding of the TOP7 Protein in Steered Molecular Dynamics Simulations as Revealed by Mutual Information Analysis.Frontiers in molecular biosciences · 2021Article
- Article
- Targeting protein-protein interaction interfaces in COVID-19 drug discovery.Computational and structural biotechnology journal · 2021Review
- The First Insight Into the Supramolecular System ofFrontiers in chemistry · 2021Article
- Therapeutic drugs for SARS-CoV-2 treatment: Current state and perspective.International immunopharmacology · 2021Review
Corrections and comments
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Authors and funding
1 author.
Funding
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Abstract
We report the results of our in silico study of approved drugs as potential treatments for COVID-19. The study is based on the analysis of normal modes of proteins. The drugs studied include chloroquine, ivermectin, remdesivir, sofosbuvir, boceprevir, and α-difluoromethylornithine (DMFO). We applied the tools we developed and standard tools used in the structural biology community. Our results indicate that small molecules selectively bind to stable, kinetically active residues and residues adjoining them on the surface of proteins and inside protein pockets, and that some prefer hydrophobic sites over other active sites. Our approach is not restricted to viruses and can facilitate rational drug design, as well as improve our understanding of molecular interactions, in general.
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Registered trials
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