1Department of Pharmacology, JSS Medical College, JSS Academy of Higher Education and Research, Mysuru - 570015, Karnataka, India; Department of Cell Biology and Molecular Genetics, Sri Devaraj Urs Academy of Higher Education and Research, Kolar. Email: saichakithmr@jssuni.edu.in, amsatish@jssuni.edu.in
2Centre for Digital Health & AI, JSS Medical College & Hospital, JSS Academy of Higher Education and Research, Mysuru - 570015, Karnataka, India. Email: sushmap@jssuni.edu.in, 24plm056@jssuni.edu.in, 25plm016@jssuni.edu.in
3Department of Biotechnology, Acharya Institute of Technology, Bengaluru, Karnataka, India. Email: pruthvi19@gmail.com
4School of Physical Sciences, Amrita Vishwa Vidyapeetham, Mysuru Campus, Mysuru - 570026, Karnataka, India. Email: shivachemist@gmail.com
5*Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru - 570015, Karnataka, India. Email: chandans@jssuni.edu.in (Corresponding Author)
6Department of Environmental Science, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru - 570015, Karnataka, India. Email: anilkumarenvi@jssuni.edu.in
*Corresponding Author
Psoriasis is a chronic immune-mediated inflammatory skin disorder driven predominantly by the TNF-α/IL-23/IL-17 cytokine axis. Although several biologics effectively target these pathways, their cost and adverse effects necessitate the discovery of safe, plant-derived multi-target modulators. This study employed an integrated computational pipeline to validate the therapeutic potential of Wrightia tinctoria phytochemicals against psoriasis-associated receptors. Network pharmacology (DisGeNET → STRING → Cytoscape/CytoHubba) identified ten inflammation-central hubs: TNF-α, IL-6, IL-17A, IL-22, IL-10, IL-17RA, TGFB1, IL-9, JAK1, and TYK2. HR-LCMS-derived phytochemicals were curated and subjected to ligand preparation, molecular docking, and ADMET analysis. Among forty screened ligands, linoleic acid, β-sitosterol, cycloartenol, and lupeol demonstrated strong affinity toward TNF-α, IL-6, IL-17A, and IL-22 through multiple hydrogen bonds and hydrophobic interactions. ADMET predictions indicated that most phytochemicals showed favorable permeability, low mutagenicity, and acceptable hERG and ClinTox profiles suitable for topical application. Docking interactions suggested a multi-target mechanism resembling biologic immunomodulation. These findings highlight W. tinctoria as a promising source of topical anti-psoriatic agents and provide a mechanistic basis for further molecular dynamics (MD) simulations and preclinical validation.
Keywords: Psoriasis, Wrightia tinctoria, cytokines, IL-6, TNF-α, Computational analysis
How to cite this article: Chakith MR, Pradeep S, Reddy P, Premkumar MB, Thimmadka P, Kollur SP, Shivamallu C, Kumar KM, Satish AM. Computational Validation of the Therapeutic Potential and Target Interactions of Wrightia tinctoria Against Psoriasis-Associated Receptors. Int J Drug Deliv Technol. 2026;16(1s): 495-517. DOI: 10.25258/ijddt.16.2s.88
Source of support: None
Conflict of interest: None