ArticleInfectious diseases of poverty2016
Virtual screening of the inhibitors targeting at the viral protein 40 of Ebola virus.
Article in Infectious diseases of poverty, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers, 1 of them a synthesis that pooled it.
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Who cites it
15 citing papers in PubMed, 1 synthesis or guideline pooled it, 59 citations in OpenAlex.
- A Systematic Review of Computational Drug Discovery, Development, and Repurposing for Ebola Virus Disease Treatment.Molecules (Basel, Switzerland) · 2017Pooled it
- In Silico Identification of Antiviral Peptides as Potential Leads Against Sudan Ebolavirus VP-40.BioMed research international · 2026Article
- Investigation into in silico and in vitro approaches for inhibitors targeting MCM10 in Leishmania donovani: a comprehensive study.Molecular diversity · 2025Article
- Elucidating the functional impact of G137V and G144R variants in Maroteaux Lamy's Syndrome by Molecular Dynamics Simulation.Molecular diversity · 2024Article
- Cheminformatics-Based Study Identifies Potential Ebola VP40 Inhibitors.International journal of molecular sciences · 2023Article
- Structural insights into inhibition of PRRSV Nsp4 revealed by structure-based virtual screening, molecular dynamics, and MM-PBSA studies.Journal of biological engineering · 2022Article
- Computational Study on Potential Novel Anti-Ebola Virus Protein VP35 Natural Compounds.Biomedicines · 2021Article
- Potential neutralizing antibodies discovered for novel corona virus using machine learning.Scientific reports · 2021Article
- A probable means to an end: exploring P131 pharmacophoric scaffold to identify potential inhibitors of Cryptosporidium parvum inosine monophosphate dehydrogenase.Journal of molecular modeling · 2021Article
- In silico screening of sugar alcohol compounds to inhibit viral matrix protein VP40 of Ebola virus.Molecular biology reports · 2019Article
- Does Size Really Matter? Probing the Efficacy of Structural Reduction in the Optimization of Bioderived Compounds - A Computational "Proof-of-Concept".Computational and structural biotechnology journal · 2018Article
- Antiviral Agents Against Ebola Virus Infection: Repositioning Old Drugs and Finding Novel Small Molecules.Annual reports in medicinal chemistry · 2018Article
- Integrated Computational Approach for Virtual Hit Identification against Ebola Viral Proteins VP35 and VP40.International journal of molecular sciences · 2016Article
- Molecular docking based screening of compounds against VP40 from Ebola virus.Bioinformation · 2016Article
- Computational methods in drug discovery.Beilstein journal of organic chemistry · 2016Review
Corrections and comments
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Authors and funding
8 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundThe Ebola virus is highly pathogenic and destructive to humans and other primates. The Ebola virus encodes viral protein 40 (VP40), which is highly expressed and regulates the assembly and release of viral particles in the host cell. Because VP40 plays a prominent role in the life cycle of the Ebola virus, it is considered as a key target for antiviral treatment. However, there is currently no FDA-approved drug for treating Ebola virus infection, resulting in an urgent need to develop effective antiviral inhibitors that display good safety profiles in a short duration.
methodsThis study aimed to screen the effective lead candidate against Ebola infection. First, the lead molecules were filtered based on the docking score. Second, Lipinski rule of five and the other drug likeliness properties are predicted to assess the safety profile of the lead candidates. Finally, molecular dynamics simulations was performed to validate the lead compound.
resultsOur results revealed that emodin-8-beta-D-glucoside from the Traditional Chinese Medicine Database (TCMD) represents an active lead candidate that targets the Ebola virus by inhibiting the activity of VP40, and displays good pharmacokinetic properties.
conclusionThis report will considerably assist in the development of the competitive and robust antiviral agents against Ebola infection.
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