Network Pharmacology and Molecular Docking-Based Computational Evaluation of Oroxylum indicum Root Extract Against Psoriasis-Associated Molecular Targets

Background: Oroxylum indicum (L.) Kurz is an important medicinal plant traditionally used for the treatment of various inflammatory disorders. However, its molecular mechanisms against psoriasis remain inadequately explored. Therefore, the present study aimed to investigate the phytochemical composition of the ethanolic root extract of O. indicum and evaluate its potential antipsoriatic activity through in silico computational analyses. Methods: Preliminary phytochemical screening was performed to identify the major classes of secondary metabolites present in the ethanolic root extract. Total phenolic content (TPC) and total flavonoid content (TFC) were quantified using the Folin–Ciocalteu and aluminium chloride colorimetric methods, respectively. Thirty-three phytoconstituents were subjected to SwissADME analysis to evaluate their physicochemical and pharmacokinetic properties. Potential therapeutic targets associated with psoriasis were identified using SwissTargetPrediction and the Therapeutic Target Database (TTD), followed by Venn diagram analysis, protein–protein interaction (PPI) network construction, and KEGG pathway enrichment analysis. Molecular docking was subsequently performed using MolSoft ICM-Pro to investigate the binding interactions of the selected phytoconstituents with psoriasis-associated target proteins. Results: Phytochemical screening confirmed the presence of alkaloids, flavonoids, glycosides, tannins, phenolic compounds, saponins, steroids, and phytosterols in the ethanolic root extract. Quantitative analysis revealed total phenolic and flavonoid contents of 100.59 mg GAE/g extract and 72.91 mg QE/g extract, respectively. SwissADME analysis demonstrated favorable drug-likeness and pharmacokinetic profiles for several flavonoids, particularly baicalein, chrysin, and apigenin. Network pharmacology identified 329 overlapping therapeutic targets between O. indicum phytoconstituents and psoriasis-associated proteins, with enrichment analyses highlighting the IL-17, TNF, and MAPK signaling pathways as key molecular mechanisms. Molecular docking revealed that baicalein exhibited the strongest binding affinity toward the selected target protein through stable hydrogen-bonding and hydrophobic interactions. Conclusion: The findings suggest that O. indicum root extract is a rich source of bioactive flavonoids with promising antipsoriatic potential. The integration of phytochemical analysis, network pharmacology, and molecular docking indicates that baicalein may serve as a promising lead compound for the development of novel therapeutic agents targeting psoriasis. Nevertheless, further in vitro, in vivo, and clinical studies are warranted to validate these computational findings.