Small steps to the big picture for health‐promoting applications through the use of chickweed (Stellariamedia): In vitro, in silico, and pharmacologicalnetwork approaches

Stellaria media L., also called chickweed, is widespread in all parts of the world. In the present study, we investigated the bio-logical properties and chemical profiles of different extracts (ethyl acetate, ethanol, ethanol/water, and water) of S. media. Thechemical profiles were examined using UHPLC/MS/MS technique. Regarding the biological properties, antioxidant propertiesas well as enzyme-inhibiting and cytotoxic effects of the extracts were demonstrated by in vitro methods. To obtain further in-formation about the structure-ability relationship, network pharmacology and molecular docking were also performed. Twelvephenolic compounds were identified in the extracts and most of them were flavonoids (apigenin, kaempferol derivatives, etc.).The water extract showed the best free radical scavenging activity, while the ethanol was the most active in reducing power tests.When inhibiting AChE, the ethyl acetate extract showed the best inhibitory effect. The water extract has a good cytotoxic effecton HepG2 (cell viability: 33.9% at a concentration of 100 g/mL). The analysis, performed using the STRING database, includedthese 45 cancer-associated targets. The identified hub genes were TP53, CDKN2A, PTEN, KRAS, and HRAS. In moleculardocking analysis, acacetin- O-hexoside- O-deoxyhexoside and napigenin-7- O-hexoside exhibit remarkable binding energies withproteins. Consequently, S. media can be potential raw materials for designing functional formulations in the pharmaceutical,nutraceutical, and cosmeceutical industries.