In Silico Screening and Multi-Target Molecular Docking of Golden Berry (Physalis angulata L.) and Basil (Ocimum basilicum L.) Phytocompounds as Nutraceutical Leads for Graves’ Disease Therapy
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DOI:
https://doi.org/10.31039/plic.2026.16.373Keywords:
Graves’ disease, golden berry, basil, network pharmacologyAbstract
Graves’ disease (GD) is an autoimmune thyroid disorder characterized by excessive immune
activation and abnormal thyroid hormone regulation. Conventional therapy is ineffective due
to high costs and serious side effects, therefore highlighting the need for safer multi-target
therapeutics. This study applied an integrated network pharmacology and molecular docking
approach to elucidate the molecular mechanisms of Physalis angulata L. and Ocimum
basilicum L. against GD. Gene enrichment revealed that common targets were involved in
inflammatory response, response to lipopolysaccharide, and cytokine receptor binding
pathways, with hub proteins including IL2, IGF1R, ICAM1, TNF, MPO, and ADRB2
localized at the cell surface and extracellular region. Molecular docking identified five active
compounds with strong affinities: Physagulin M (IGF1R) −10.4 kcal/mol, Aesculin (IL2) −9.5
kcal/mol, Quercetin (IGF1R) −8.1 kcal/mol, and Kaempferol (IL2) −7.8 kcal/mol, all
outperforming methimazole −4.1 (IL2) and −3.3 kcal/mol (IGFR1). . These results suggest
that golden berries and basil exhibit immunomodulatory and hormone regulatory potential
through multitarget inhibition of cytokine and receptor mediated pathways, providing
promising nutraceutical candidates for GD management.
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