Uncovering Quercetin’s Effects against Influenza A Virus Using Network Pharmacology and Molecular Docking
Abstract
:1. Introduction
2. Materials and Methods
2.1. Pharmacokinetic Evaluation and Therapeutic Targets Associated with Quercetin
2.2. Potential Pathological Target Genes Linked to Influenza
2.3. Construction of Compound–Disease Target (C-D) Network
2.4. Biological Function and Pathway Enrichment Analysis
2.5. Compound–Disease Target–Pathway (C-D-P) Network Construction
2.6. Construction of Protein–Protein Interaction (PPI) Network
2.7. Molecular Docking Analysis
3. Results
3.1. Biological Targets of Quercetin and Influenza and Compound–Disease Target Network Construction (C-D Network)
3.2. KEGG Pathway Analysis
3.3. Compound–Disease–Target–Pathway (C-D-P) Network
3.4. Protein–Protein Interaction of Disease Targets Associated with Quercetin
3.5. Molecular Docking Analysis
4. Discussion
Author Contributions
Funding
Informed Consent Statement
Conflicts of Interest
References
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Pathway and Disease (KEGG) | Gene Counts |
---|---|
hsa05200: Pathways in cancer | 16 |
hsa05161: Hepatitis B | 14 |
hsa05205: Proteoglycans in cancer | 12 |
hsa05152: Tuberculosis | 11 |
hsa04066: HIF-1 signaling pathway | 10 |
hsa05142: Chagas disease (American trypanosomiasis) | 10 |
hsa05145: Toxoplasmosis | 10 |
hsa05160: Hepatitis C | 10 |
hsa04210: Apoptosis | 9 |
hsa04668: TNF signaling pathway | 9 |
hsa04722: Neurotrophin signaling pathway | 9 |
hsa04071: Sphingolipid signaling pathway | 9 |
hsa05164: Influenza A | 9 |
hsa04010: MAPK signaling pathway | 9 |
hsa04151: PI3K-Akt signaling pathway | 9 |
Ligand-Target | Binding Affinity (kcal/moL) |
---|---|
QT-MAPK1 | −8.3 |
QT-NFKB1 | −7.3 |
QT-RELA | −7.1 |
QT-TP53 | −6.1 |
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Kim, M.; Kim, Y.B. Uncovering Quercetin’s Effects against Influenza A Virus Using Network Pharmacology and Molecular Docking. Processes 2021, 9, 1627. https://doi.org/10.3390/pr9091627
Kim M, Kim YB. Uncovering Quercetin’s Effects against Influenza A Virus Using Network Pharmacology and Molecular Docking. Processes. 2021; 9(9):1627. https://doi.org/10.3390/pr9091627
Chicago/Turabian StyleKim, Minjee, and Young Bong Kim. 2021. "Uncovering Quercetin’s Effects against Influenza A Virus Using Network Pharmacology and Molecular Docking" Processes 9, no. 9: 1627. https://doi.org/10.3390/pr9091627