Comprehensive chemical profiling, bioactivity evaluation, and computational modelling of various extracts from <i>cleome ornithopodioides</i> L

In this study, various extracts of <i>Cleome ornithopodioides</i> L.: <i>n-</i>hexane, dichloromethane (DCM), ethyl acetate (EA), ethanol, 70% ethanol, and water (infusion) were used to examine the chemical profiles and biological activities of the plant. The characterisation of the compounds was carried out by HPLC coupled to ion trap mass spectrometry. Antioxidant activity was evaluated through six assays. Additionally, the enzyme inhibition activities of the extracts were tested against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, α-amylase, and α-glucosidase. The extracts showed varying levels of bioactive compounds, with the water (infused) (38.95 mg GAE/g) and the 70% ethanol (38.75 mg GAE/g) extracts having the highest total phenolics. The extracts primarily contained flavonoid glycosides (quercetin glycosides). The 70% ethanol extract exhibited the highest antioxidant activity as indicated by four assays (DPPH: 68.21 mg TE/g; ABTS: 193.48 mg TE/g; CUPRAC: 143.68; FRAP: 123.86 mg TE/g). The ethanol extract also showed significant inhibition of BChE (15.69 mg GALAE/g). This highlights their potential for future research into applications in health and medicine, where they could offer valuable therapeutic benefits.