ArticleGenomics2020
Probing antiviral drugs against SARS-CoV-2 through virus-drug association prediction based on the KATZ method.
Article in Genomics, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 papers.
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Who cites it
27 citing papers in PubMed, 46 citations in OpenAlex.
- Strategies for robust, accurate, and generalizable benchmarking of drug discovery platforms.Bioinformatics (Oxford, England) · 2025Article
- Strategies for robust, accurate, and generalizable benchmarking of drug discovery platforms.bioRxiv : the preprint server for biology · 2025Article
- GiGs: graph-based integrated Gaussian kernel similarity for virus-drug association prediction.Briefings in bioinformatics · 2025Article
- Review
- In Vitro Analysis of SARS-CoV-2 Spike Protein and Ivermectin Interaction.International journal of molecular sciences · 2023Article
- DRaW: prediction of COVID-19 antivirals by deep learning-an objection on using matrix factorization.BMC bioinformatics · 2023Article
- A new integrated framework for the identification of potential virus-drug associations.Frontiers in microbiology · 2023Article
- Review
- Efficacy of oseltamivir in the treatment of patients infected with Covid-19.Annals of medicine and surgery (2012) · 2022Article
- Antiviral drugs suppress infection of 2019-nCoV spike pseudotyped virus by interacting with ACE2 protein.Journal of biochemical and molecular toxicology · 2022Article
- Identifying shared genetic loci between coronavirus disease 2019 and cardiovascular diseases based on cross-trait meta-analysis.Frontiers in microbiology · 2022Article
- VDA-RWLRLS: An anti-SARS-CoV-2 drug prioritizing framework combining an unbalanced bi-random walk and Laplacian regularized least squares.Computers in biology and medicine · 2022Article
- Discovery of Potential Therapeutic Drugs for COVID-19 Through Logistic Matrix Factorization With Kernel Diffusion.Frontiers in microbiology · 2022Article
- Drug repositioning for SARS-CoV-2 by Gaussian kernel similarity bilinear matrix factorization.Frontiers in microbiology · 2022Article
- Neighborhood-based inference and restricted Boltzmann machine for microbe and drug associations prediction.PeerJ · 2022Article
- Identifying cancer tissue-of-origin by a novel machine learning method based on expression quantitative trait loci.Frontiers in oncology · 2022Article
- Prioritizing potential circRNA biomarkers for bladder cancer and bladder urothelial cancer based on an ensemble model.Frontiers in genetics · 2022Article
- Molecular Docking and Dynamics Investigations for Identifying Potential Inhibitors of the 3-Chymotrypsin-like Protease of SARS-CoV-2: Repurposing of Approved Pyrimidonic Pharmaceuticals for COVID-19 Treatment.Molecules (Basel, Switzerland) · 2021Article
- Drug Interactions for Patients with Respiratory Diseases Receiving COVID-19 Emerged Treatments.International journal of environmental research and public health · 2021Review
- Structure-Functional Analysis of Human Cytochrome P450 2C8 Using Directed Evolution.Pharmaceutics · 2021Article
Corrections and comments
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Authors and funding
8 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
It is urgent to find an effective antiviral drug against SARS-CoV-2. In this study, 96 virus-drug associations (VDAs) from 12 viruses including SARS-CoV-2 and similar viruses and 78 small molecules are selected. Complete genomic sequence similarity of viruses and chemical structure similarity of drugs are then computed. A KATZ-based VDA prediction method (VDA-KATZ) is developed to infer possible drugs associated with SARS-CoV-2. VDA-KATZ obtained the best AUCs of 0.8803 when the walking length is 2. The predicted top 3 antiviral drugs against SARS-CoV-2 are remdesivir, oseltamivir, and zanamivir. Molecular docking is conducted between the predicted top 10 drugs and the virus spike protein/human ACE2. The results showed that the above 3 chemical agents have higher molecular binding energies with ACE2. For the first time, we found that zidovudine may be effective clues of treatment of COVID-19. We hope that our predicted drugs could help to prevent the spreading of COVID.
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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.