Network Pharmacology and Molecular Docking of Sphaeranthus Indicus in Treatment of Diuretics

This study evaluates the diuretic potential of Sphaeranthus indicus through network pharmacology and molecular docking. Four key phytochemicals—scopoletin, kaempferol, caffeic acid, and 4-hydroxycinnamic acid—were identified with favorable ADME properties. Target prediction revealed 88 overlapping genes with diuretic-associated targets, highlighting hub genes such as AKT1, MMP2, MMP9, PTGS2, CA2, and CA4. Pathway enrichment emphasized Relaxin signalling and Proximal Tubule Bicarbonate Reclamation as key mechanisms in renal electrolyte regulation and fluid balance. Docking studies showed strong binding of kaempferol and scopoletin to CA2 and CA4, suggesting carbonic anhydrase inhibition. Findings provide a mechanistic basis for the traditional use of S. indicus and support its potential as a natural multi-target diuretic.

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-09-09
DOI
https://doi.org/10.5281/zenodo.17087563
Primary Topic
Geochemistry and Geologic Mapping
Type
article
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article

Network Pharmacology and Molecular Docking of Sphaeranthus Indicus in Treatment of Diuretics

Zenodo (CERN European Organization for Nuclear Research)
Geochemistry and Geologic Mapping
article

Network Pharmacology and Molecular Docking of Sphaeranthus Indicus in Treatment of Diuretics

article en

Abstract

This study evaluates the diuretic potential of Sphaeranthus indicus through network pharmacology and molecular docking. Four key phytochemicals—scopoletin, kaempferol, caffeic acid, and 4-hydroxycinnamic acid—were identified with favorable ADME properties. Target prediction revealed 88 overlapping genes with diuretic-associated targets, highlighting hub genes such as AKT1, MMP2, MMP9, PTGS2, CA2, and CA4. Pathway enrichment emphasized Relaxin signalling and Proximal Tubule Bicarbonate Reclamation as key mechanisms in renal electrolyte regulation and fluid balance. Docking studies showed strong binding of kaempferol and scopoletin to CA2 and CA4, suggesting carbonic anhydrase inhibition. Findings provide a mechanistic basis for the traditional use of S. indicus and support its potential as a natural multi-target diuretic.

Zenodo (CERN European Organization for Nuclear Research)
Openalex Percentile: Top 47%
Geochemistry and Geologic Mapping
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