Phytochemical identification and in silico study of ethanolic extract of white cabbage as a phosphodiesterase 1B inhibitor

Memory dysfunction has remained a challenging issue globally. Nootropics have proven fruitful in managing cognitive dysfunction but because of their side effects, opportunities exist to explore alternatives. White cabbage is a cost-effective natural source of phytochemicals without side effects and has remained uninvestigated as a nootropic agent. This study sought to identify secondary metabolites in white cabbage extract (WCE) and to predict the molecular interaction between the phytochemical constituents of cabbage and phosphodiesterase-1B (PDE1B) using in silico studies.

The WCE was prepared by macerating crushed fresh white cabbage with ethanol for 24 h with continuous stirring. The phytochemical profile of WCE was analyzed using thin layer chromatography (TLC)-densitometry, and molecular docking studies were performed to predict the underlying mechanism action of the phytochemicals with PDE1B.

The TLC-densitometry analysis showed that WCE was a rich source of sinigrin, whereas quercetin, chlorogenic acid, and rutin were not detected. In silico studies identified neobrassicin as having the highest affinity (ΔGbind: −19.3358 kcal/mol) for PDE1B. However, quercetin (ΔGbind: −13.1813 kcal/mol) and chlorogenic acid (ΔGbind: −14.8706 kcal/mol) exhibited moderate interaction with PDE1B.

These results suggest that WCE has the potency to improve memory function by blocking PDE1B, and this preliminary study implies upcoming in vitro and in vivo research.