Published April 1, 2026 | Version v1
Journal Open

In-Silico and In-Vitro Analysis of Analgesic Potential of Lunasia amara var. amara Blanco (Tawal-Ulad) Using Protein Denaturation Assay and Molecular Docking Analysis

Authors/Creators

  • 1. Silway-8 National High School

Description

The use of herbal medicine is a major component of traditional medicine, with analgesic potential dating back to ancient times. Lunasia amara var. amara, also known as "Tawal-Ulad" locally, is a medicinal plant traditionally used for relieving pain and inflammation. This study aimed to determine its analgesic potential using phytochemical profiling, in-vitro protein denaturation assays, and in-silico molecular docking analysis. For phytochemical screening, the 95% ethanolic wood extract contained flavonoids, phenolic compounds, terpenoids, and tannins, but no alkaloids were found. The analgesic activity was tested in vitro using egg albumin and egg membrane protein denaturation assays. The results showed a concentration-dependent inhibition of protein denaturation, with higher extract concentrations providing significantly stronger effects compared to the control and aspirin. The extract showed a significant inhibitory activity, with an IC₅₀ value of approximately 40.79 μg/mL, which indicated effective protein stabilization with anti-inflammatory and analgesic properties. In-silico molecular docking was conducted using Swiss Dock to evaluate the interaction of identified bioactive compounds with the COX-2 (5IKR) protein. The results showed favorable binding energies, particularly in triterpenoids around (−7.14 kcal/mol), polyphenols (−6.90 kcal/mol), and hesperidin (−6.73 kcal/mol), suggesting stable ligand-protein interactions and strong inhibitory potential. In addition, these findings provide molecular-level support for the analgesic activity observed in silico. Overall, the combined in-vitro and in-silico results support the analgesic and anti-inflammatory properties of Lunasia amara var. amara Blanco, confirming its traditional medicinal use and highlighting its potential as a source of natural analgesic agents.

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