Analgesic, muscle relaxant, and anti-inflammatory potential of of flavonoids isolated from Euphorbia pulcherrima: Insights from molecular docking ligand retrieval, protein retrieval, and visualization and analysis investigation

Euphorbia pulcherrima Willd Ex Koltz is traditionally used for toothache, fracture, traumatic haemorrhage, etc. Nevertheless, although it is used, the most obvious gap is a knowledge of the mechanism underlying the described effects and bioactive compounds. The objective of this study was to prepare flavonoids in the methanolic bark extract of E. pulcherrima and determine their analgesic, anti-inflammatory, and muscle-relaxant properties, and to discuss their binding affinity to COX-2, TRPV1, and GABA-A receptors using molecular docking. Compound 1 (5,7,8,3′,4′-pentahydroxy-3-methoxyflavone) was more effective as an analgesic, with a significant ( p < 0.001) increase in latency time (22.70–24.12 s) over compound 2 (kaempferol-3-B-D-glucopyranoside). The analgesic action of compound 1 implies the involvement with the central pain receptors similar to the opioid and GABAergic systems. Both compounds demonstrated dose-effective muscle relaxant activities, with compound 1 demonstrating 70% inhibition in the inclined plane model. The effects on anti-inflammatory effects were also notable with compound 1 reducing paw edema by 57.54% in the initial phase and 80% inhibition in the late phase, whereas compound 2 showed an inhibition rate of 87% in the third hour after induction. The docking experiments established that the two compounds displayed high binding affinities with COX-2, TRPV1, and GABA-A receptors and confirmed their potential as multi-target agents. The findings highlight the value of E. pulcherrima -derived flavonoids as multi-target therapeutics against pain, inflammation, and muscle-related disorders, which can be used in the development of new plant-based drugs with reduced side effects and improved effects.