Molecular docking analysis and anti-apoptotic activity of Hypericum triquetrifolium Turra (St. John's-wort) in Cyclophosphamide-induced lung injury

Abstract

Abstract The present study aims to investigate the lung-protective and antiapoptotic effects of Hypericum triquetrifolium Turra (HTT) against cyclophosphamide (CP)-induced lung injury in rats. Thirty-five Sprague Dawley rats were categorized into 5 groups, each consisting of seven members. Phenolic acid and flavonoid contents of this plant were determined. The lung tissue samples cultivated from the rats were examined both histopathological and immunohistochemically for the apoptosis markers of Caspase-3, Bax, and Bcl-2. Histopathological results indicated that structural defects, bleeding areas, and edema had occurred in the lungs of the CP-Alone Group. Besides, Caspase-3 and Bax positivity of the lung cells had also increased while Bcl-2 positivity had decreased. On the other hand, in the HTT + CP Group, HTT was shown to have reversed the aforementioned changes positively. In addition, our in-vivo results were confirmed by the in-silico studies. The changes that occurred in the binding of CP to the active-site amino acid residues of Caspase-3, Bax, and Bcl-2 upon the addition of Hyperoside besides the changes that occurred in their tendency to form hydrogen bonds were accounted for by in silico studies. Based on in vivo and in silico results, HTT could be a strong protective candidate for CP-induced lung injury and apoptosis.