In Silico studies of bioactive compounds of Hibiscus rosa-sinensis against IL-8 and LTB-4 in chronic obstructive pulmonary disease

COPD (Chronic Obstructive Pulmonary Disease) is a chronic respiratory condition that reduces the quality of life due to systemic effects and comorbidities, driven by chemotactic factors like IL-8 and LTB-4, which cause airway inflammation through neutrophil migration, mucus hypersecretion, and goblet cell activation. Hibiscus rosa-sinensis (HRs) flowers are known for their antioxidant and anti-inflammatory properties. This study utilized molecular docking to confirm the anti-inflammatory efficacy of phytochemical components from Hibiscus rosa-sinensis extract. The methanol extract's gas chromatography-mass spectrometry (GC-MS) analysis identified 13 compounds, including methyl linoleate, gamma sitosterol, and stigmasterol. Phytochemical screening and DPPH assays assessed antioxidant activity, while molecular docking, performed with AutoDock Vina, showed significant interactions between the extract's bioactive compounds and target proteins IL-8 and LTB-4. Stigmasterol, gamma sitosterol, and methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate exhibited strong binding affinities to IL-8, whereas stigmasterol, gamma sitosterol, and linolenic acid strongly interacted with LTB-4. Stigmasterol demonstrated the lowest binding energy for both IL-8 and LTB-4, suggesting its potential as an effective inhibitor for these proteins in COPD treatment.