ArticleBMC bioinformatics2016
Drug repurposing to target Ebola virus replication and virulence using structural systems pharmacology.
Article in BMC bioinformatics, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers, 1 of them a synthesis that pooled it.
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Who cites it
22 citing papers in PubMed, 1 synthesis or guideline pooled it, 51 citations in OpenAlex.
- A Systematic Review of Computational Drug Discovery, Development, and Repurposing for Ebola Virus Disease Treatment.Molecules (Basel, Switzerland) · 2017Pooled it
- Cheminformatics-Based Study Identifies Potential Ebola VP40 Inhibitors.International journal of molecular sciences · 2023Article
- Drug Repurposing for Identification of S1P1 Agonists with Potential Application in Multiple Sclerosis Using In Silico Drug Design Approaches.Advanced pharmaceutical bulletin · 2023Article
- Anti-Ebola: an initiative to predict Ebola virus inhibitors through machine learning.Molecular diversity · 2022Article
- Evaluating the performance of drug-repurposing technologies.Drug discovery today · 2022Review
- Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward drug repurposing to combat COVID-19.Molecular diversity · 2021Article
- Current progress and future perspectives of polypharmacology : From the view of non-small cell lung cancer.Seminars in cancer biology · 2021Review
- Quercetin Blocks Ebola Virus Infection by Counteracting the VP24 Interferon-Inhibitory Function.Antimicrobial agents and chemotherapy · 2020Article
- Perspectives towards antiviral drug discovery against Ebola virus.Journal of medical virology · 2019Review
- Article
- Structural Insights into Characterizing Binding Sites in Epidermal Growth Factor Receptor Kinase Mutants.Journal of chemical information and modeling · 2019Article
- High Throughput and Computational Repurposing for Neglected Diseases.Pharmaceutical research · 2018Review
- Advances in Designing and Developing Vaccines, Drugs, and Therapies to Counter Ebola Virus.Frontiers in immunology · 2018Review
- Antiviral Agents Against Ebola Virus Infection: Repositioning Old Drugs and Finding Novel Small Molecules.Annual reports in medicinal chemistry · 2018Article
- Determining Cysteines Available for Covalent Inhibition Across the Human Kinome.Journal of medicinal chemistry · 2017Article
- A structure- and chemical genomics-based approach for repositioning of drugs against VCP/p97 ATPase.Scientific reports · 2017Article
- Discovering Drugs for the Treatment of Ebola Virus.Current treatment options in infectious diseases · 2017Review
- Article
- Analysis of Ebola virus polymerase domains to find strain-specific differences and to gain insight on their pathogenicity.Virusdisease · 2016Article
- Repurposed Therapeutic Agents Targeting the Ebola Virus: A Systematic Review.Current therapeutic research, clinical and experimentalArticle
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors at 5 institutions in 2 countries.
Funding
Abstract
backgroundThe recent outbreak of Ebola has been cited as the largest in history. Despite this global health crisis, few drugs are available to efficiently treat Ebola infections. Drug repurposing provides a potentially efficient solution to accelerating the development of therapeutic approaches in response to Ebola outbreak. To identify such candidates, we use an integrated structural systems pharmacology pipeline which combines proteome-scale ligand binding site comparison, protein-ligand docking, and Molecular Dynamics (MD) simulation.
resultsOne thousand seven hundred and sixty-six FDA-approved drugs and 259 experimental drugs were screened to identify those with the potential to inhibit the replication and virulence of Ebola, and to determine the binding modes with their respective targets. Initial screening has identified a number of promising hits. Notably, Indinavir; an HIV protease inhibitor, may be effective in reducing the virulence of Ebola. Additionally, an antifungal (Sinefungin) and several anti-viral drugs (e.g. Maraviroc, Abacavir, Telbivudine, and Cidofovir) may inhibit Ebola RNA-directed RNA polymerase through targeting the MTase domain.
conclusionsIdentification of safe drug candidates is a crucial first step toward the determination of timely and effective therapeutic approaches to address and mitigate the impact of the Ebola global crisis and future outbreaks of pathogenic diseases. Further in vitro and in vivo testing to evaluate the anti-Ebola activity of these drugs is warranted.
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Registered trials
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.