ArticleFrontiers in genetics2020
Identifying Effective Antiviral Drugs Against SARS-CoV-2 by Drug Repositioning Through Virus-Drug Association Prediction.
Article in Frontiers in genetics, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed, 20 citations in OpenAlex.
- A new integrated framework for the identification of potential virus-drug associations.Frontiers in microbiology · 2023Article
- 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
- Identifying shared genetic loci between coronavirus disease 2019 and cardiovascular diseases based on cross-trait meta-analysis.Frontiers in microbiology · 2022Article
- Novel Drug Design for Treatment of COVID-19: A Systematic Review of Preclinical Studies.The Canadian journal of infectious diseases & medical microbiology = Journal canadien des maladies infectieuses et de la microbiologie medicale · 2022Review
- Drug repositioning for SARS-CoV-2 by Gaussian kernel similarity bilinear matrix factorization.Frontiers in microbiology · 2022Article
- Screening potential lncRNA biomarkers for breast cancer and colorectal cancer combining random walk and logistic matrix factorization.Frontiers in genetics · 2022Article
- Drug Interactions for Patients with Respiratory Diseases Receiving COVID-19 Emerged Treatments.International journal of environmental research and public health · 2021Review
- An update review of globally reported SARS-CoV-2 vaccines in preclinical and clinical stages.International immunopharmacology · 2021Review
- A Computational Framework to Identify Biomarkers for Glioma Recurrence and Potential Drugs Targeting Them.Frontiers in genetics · 2021Article
- Evaluation of the MGISEQ-2000 Sequencing Platform for Illumina Target Capture Sequencing Libraries.Frontiers in genetics · 2021Article
- Development and Validation of a Nomogram for the Prediction of Hospital Mortality of Patients With Encephalopathy Caused by Microbial Infection: A Retrospective Cohort Study.Frontiers in microbiology · 2021Article
- Artificial Intelligence Systems for Diagnosis and Clinical Classification of COVID-19.Frontiers in microbiology · 2021Article
- Screening Potential Drugs for COVID-19 Based on Bound Nuclear Norm Regularization.Frontiers in genetics · 2021Article
- A Review of CurrentFrontiers in oncology · 2021Review
- A Systematic Analysis on COVID-19 Patients in Inner Mongolia Based on Dynamic Monitoring.BioMed research international · 2021Article
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Authors and funding
8 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A new coronavirus called SARS-CoV-2 is rapidly spreading around the world. Over 16,558,289 infected cases with 656,093 deaths have been reported by July 29th, 2020, and it is urgent to identify effective antiviral treatment. In this study, potential antiviral drugs against SARS-CoV-2 were identified by drug repositioning through Virus-Drug Association (VDA) prediction. 96 VDAs between 11 types of viruses similar to SARS-CoV-2 and 78 small molecular drugs were extracted and a novel VDA identification model (VDA-RLSBN) was developed to find potential VDAs related to SARS-CoV-2. The model integrated the complete genome sequences of the viruses, the chemical structures of drugs, a regularized least squared classifier (RLS), a bipartite local model, and the neighbor association information. Compared with five state-of-the-art association prediction methods, VDA-RLSBN obtained the best AUC of 0.9085 and AUPR of 0.6630. Ribavirin was predicted to be the best small molecular drug, with a higher molecular binding energy of -6.39 kcal/mol with human angiotensin-converting enzyme 2 (ACE2), followed by remdesivir (-7.4 kcal/mol), mycophenolic acid (-5.35 kcal/mol), and chloroquine (-6.29 kcal/mol). Ribavirin, remdesivir, and chloroquine have been under clinical trials or supported by recent works. In addition, for the first time, our results suggested several antiviral drugs, such as FK506, with molecular binding energies of -11.06 and -10.1 kcal/mol with ACE2 and the spike protein, respectively, could be potentially used to prevent SARS-CoV-2 and remains to further validation. Drug repositioning through virus-drug association prediction can effectively find potential antiviral drugs against SARS-CoV-2.
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