ArticleComputational and mathematical methods in medicine2015
Molecular docking of potential inhibitors for influenza H7N9.
Article in Computational and mathematical methods in medicine, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed, 44 citations in OpenAlex.
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- Computer-aided Drug Discovery Approaches in the Identification of Anticancer Drugs from Natural Products: A Review.Current computer-aided drug design · 2025Review
- In Silico Studies Reveal Peramivir and Zanamivir as an Optimal Drug Treatment Even If H7N9 Avian Type Influenza Virus Acquires Further Resistance.Molecules (Basel, Switzerland) · 2022Article
- Antimicrobial Activity of Quercetin: An Approach to Its Mechanistic Principle.Molecules (Basel, Switzerland) · 2022Review
- Quercetin and its derivates as antiviral potentials: A comprehensive review.Phytotherapy research : PTR · 2022Review
- Tale of Viruses in Male Infertility.Advances in experimental medicine and biology · 2022Article
- Antivirals Targeting the Surface Glycoproteins of Influenza Virus: Mechanisms of Action and Resistance.Viruses · 2021Review
- RIGI, TLR7, and TLR3 Genes Were Predicted to Have Immune Response Against Avian Influenza in Indigenous Ducks.Frontiers in molecular biosciences · 2021Article
- Quercetin as a Natural Therapeutic Candidate for the Treatment of Influenza Virus.Biomolecules · 2020Review
- Compounds with Antiviral, Anti-Inflammatory and Anticancer Activity Identified in Wine from Hungary's Tokaj Region via High Resolution Mass Spectrometry and Bioinformatics Analyses.International journal of molecular sciences · 2020Article
- Five Novel Non-Sialic Acid-Like Scaffolds Inhibit In Vitro H1N1 and H5N2 Neuraminidase Activity of Influenza a Virus.Molecules (Basel, Switzerland) · 2020Article
- Iron Chelation Properties of Green Tea Epigallocatechin-3-Gallate (EGCG) in Colorectal Cancer Cells: Analysis on Tfr/Fth Regulations and Molecular Docking.Evidence-based complementary and alternative medicine : eCAM · 2020Article
- Antiviral Activities of Oleanolic Acid and Its Analogues.Molecules (Basel, Switzerland) · 2018Review
- In silico study of carvone derivatives as potential neuraminidase inhibitors.Journal of molecular modeling · 2018Article
- Flavonoids: promising natural compounds against viral infections.Archives of virology · 2017Review
- Antiviral activity of chlorogenic acid against influenza A (H1N1/H3N2) virus and its inhibition of neuraminidase.Scientific reports · 2017Article
- Computational screen and experimental validation of anti-influenza effects of quercetin and chlorogenic acid from traditional Chinese medicine.Scientific reports · 2016Article
Corrections and comments
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Authors and funding
9 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
As a new strain of virus emerged in 2013, avian influenza A (H7N9) virus is a threat to the public health, due to its high lethality and pathogenicity. Furthermore, H7N9 has already generated various mutations such as neuraminidase R294K mutation which could make the anti-influenza oseltamivir less effective or ineffective. In this regard, it is urgent to develop new effective anti-H7N9 drug. In this study, we used the general H7N9 neuraminidase and oseltamivir-resistant influenza virus neuraminidase as the acceptors and employed the small molecules including quercetin, chlorogenic acid, baicalein, and oleanolic acid as the donors to perform the molecular docking for exploring the binding abilities between these small molecules and neuraminidase. The results showed that quercetin, chlorogenic acid, oleanolic acid, and baicalein present oseltamivir-comparable high binding potentials with neuraminidase. Further analyses showed that R294K mutation in neuraminidase could remarkably decrease the binding energies for oseltamivir, while other small molecules showed stable binding abilities with mutated neuraminidase. Taken together, the molecular docking studies identified four potential inhibitors for neuraminidase of H7N9, which might be effective for the drug-resistant mutants.
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