Network pharmacology and molecular docking-based insights into the anti-glomerulonephritis potential of Calendula officinalis.

Glomerulonephritis (GN) is a kidney disorder characterized by inflammation of the glomeruli. This study aims to explore the potential therapeutic mechanisms of C. officinalis in the treatment of GN through network pharmacology and molecular docking analysis. The active ingredients of the plant were obtained from the intersections of articles and databases. The GN targets were obtained from the GeneCards database. The STRING database was used to construct a PPI network obtained from the intersection of target and disease. Functional enrichment analysis was performed using Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) to examine the biological significance of disease and plant active ingredient targets. Quercetin, isorhamnetin and kaempferol were identified as key compounds, while TNF, AKT1 and SRC emerged as central targets in the PPI network. GO and KEGG analyses revealed that C. officinalis may exert its effects through processes on important signaling pathways including PI3K-Akt and EGFR tyrosine kinase inhibitor resistance. Molecular docking results provided important affinities between the main compounds and the core proteins. This study provides a preliminary scientific foundation for future investigations into the molecular mechanisms by which C. officinalis may contribute to the treatment of glomerulonephritis.

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Publication Details

Journal
PubMed
Published
2025-12-03
DOI
https://doi.org/10.36721/pjps.2025.38.6.reg.14742.1
Primary Topic
Natural product bioactivities and synthesis
Type
article
Field-Weighted Citation Impact
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article

Network pharmacology and molecular docking-based insights into the anti-glomerulonephritis potential of Calendula officinalis.

Eda Sönmez Gürer, Şeyda Örs Kaya, Sevgi Durna Daştan
PubMed
Natural product bioactivities and synthesis
article

Network pharmacology and molecular docking-based insights into the anti-glomerulonephritis potential of Calendula officinalis.

Eda Sönmez Gürer, Şeyda Örs Kaya, Sevgi Durna Daştan
article en

Abstract

Glomerulonephritis (GN) is a kidney disorder characterized by inflammation of the glomeruli. This study aims to explore the potential therapeutic mechanisms of C. officinalis in the treatment of GN through network pharmacology and molecular docking analysis. The active ingredients of the plant were obtained from the intersections of articles and databases. The GN targets were obtained from the GeneCards database. The STRING database was used to construct a PPI network obtained from the intersection of target and disease. Functional enrichment analysis was performed using Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) to examine the biological significance of disease and plant active ingredient targets. Quercetin, isorhamnetin and kaempferol were identified as key compounds, while TNF, AKT1 and SRC emerged as central targets in the PPI network. GO and KEGG analyses revealed that C. officinalis may exert its effects through processes on important signaling pathways including PI3K-Akt and EGFR tyrosine kinase inhibitor resistance. Molecular docking results provided important affinities between the main compounds and the core proteins. This study provides a preliminary scientific foundation for future investigations into the molecular mechanisms by which C. officinalis may contribute to the treatment of glomerulonephritis.

PubMedVol. 38(6)
Sivas Cumhuriyet Üniversitesi (TR), Gaziantep University (TR)
Openalex Percentile: Top 65%
Natural product bioactivities and synthesis
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