Abstract

NETWORK PHARMACOLOGY-BASED EXPLORATION OF THE MOLECULAR MECHANISMS OF CLITORIA TERNATEA LINN. ROOT (ŚVETA APARĀJITĀ) IN HYPOTHYROIDISM

Dr. Aashika Deswal*, Dr. Suman Panwar, Dr. Ayush Kapoor

Abstract

Introduction: Clitoria ternatea Linn. (Aparajita) is a medicinal plant traditionally recognized in Ayurveda for diverse therapeutic applications. The root of Shweta Aparajita has been described in classical texts for Galganda, providing a traditional basis for exploring its relevance to thyroid-related disorders. However, the molecular mechanisms underlying its potential thyrogenic activity remain insufficiently characterized. The present study aimed to explore the potential molecular mechanisms of Clitoria ternatea root in hypothyroidism using an exploratory network pharmacology approach. Methods: Phytoconstituents of Clitoria ternatea root were retrieved from IMPPAT 2.0 and published literature, supplemented by compounds identified through LC–MS analysis. The identified compounds were evaluated for druglikeness and ADME properties using SwissADME and MolSoft. Potential molecular targets were predicted using Swiss Target Prediction. Hypothyroidism-associated genes were retrieved from GeneCards and OMIM, followed by merging, deduplication, and filtering. Common targets were identified using Venn analysis. KEGG pathway enrichment was performed using DAVID v6.8, while compound–target networks were constructed using Cytoscape 3.10.3. Hub genes were identified using CytoHubba employing Degree, MCC, EPC, and Closeness algorithms. Results: A total of 32 phytoconstituents were identified, comprising 8 compounds from IMPPAT 2.0 and 24 compounds from LC–MS analysis; 26 compounds were retained following drug-likeness and ADME screening. Target prediction identified 705 compound–target interactions involving 307 unique targets. GeneCards and OMIM yielded 7,194 and 288 disease-associated entries, respectively, with 7,209 unique hypothyroidism-associated genes retained after processing. Venn analysis identified 158 common targets. KEGG analysis revealed 135 significantly enriched pathways, including 47 hypothyroidism-associated pathways, involving thyroid hormone, PI3K–Akt, MAPK, cAMP, JAK–STAT, PPAR, insulin, NF-κB, and TNF signaling. Hub analysis identified targets including ESR1, ESR2, PTPN1, CA1, CA2, DPP4, XDH, CYP1B1, HDAC6, and PPARA. Conclusion: The findings suggest that Clitoria ternatea root may exert potential thyrogenic effects through a multi-component, multi-target, and multi-pathway molecular network involving endocrine, metabolic, inflammatory, and cellular signaling processes. These computational findings provide mechanistic insights into its traditional relevance to Galganda and warrant validation through experimental molecular and pharmacological studies.

Keywords: Clitoria ternatea; Aparajita; Hypothyroidism; Galganda; Network pharmacology; Thyrogenic activity; Phytoconstituents; Hub genes.