Comparative metabolomics and network pharmacology analysis reveals shared neuroprotective mechanisms of Bacopa monnieri (L.) Wettst and Centella asiatica (L.) Urb

Abstract

Abstract Bacopa monnieri (L.) Wettst and Centella asiatica (L.) Urb., two nootropics are recognized in Indian Ayurvedic texts. Studies have attempted to understand their action as memory enhancers and neuroprotectants, but many molecular aspects remain unknown. We propose that Bacopa monnieri (L.) Wettst and Centella asiatica (L.) Urb. share common neuroprotective mechanisms. Mass spectrometry-based untargeted metabolomics and network pharmacology approach was used to identify potential protein targets for the metabolites from each extract. Phytochemical analyses and cell culture validation studies were also used to assess apoptosis and ROS activity using aqueous extracts prepared from both herbal powders. Further, docking studies were also performed using the LibDock protocol. Untargeted metabolomics and network pharmacology approach unveiled 3,362 and 2,927 non-redundant metabolites from both extracts, with 2,750 shared metabolites between them, suggesting a potential common neuroprotective mechanism among these drugs. Protein-target prediction highlighted 92.4% similarity among the proteins interacting with metabolites for these extracts. Among them, kinases mapped to MAPK, mTOR, and PI3K-AKT signaling pathways represented a predominant population. Our results highlight a significant similarity in the metabolome of Bacopa monnieri (L.) Wettst and Centella asiatica (L.) Urb. and their potential protein targets, which may be attributed to their common neuroprotective functions.