Phytochemical, Antioxidant, and Anti-Inflammatory Analysis of Thevetia Peruviana, Tridax Procumbens, and Acalypha Wilkesiana Using in- Silico Studies.

The increasing global burden of inflammation- and oxidative stress-related diseases highlights the urgent need for safer, plant-based therapeutic alternatives. This study investigated the phytochemical composition, antioxidant activity, and anti-inflammatory potential of Tridax procumbens, Thevetia peruviana, and Acalypha wilkesiana through both experimental and in-silico approaches. Qualitative and quantitative phytochemical analyses was carried out using presence/absence test and spectrophotometry respectively while molecular docking, drug-likeness and ADMET profiling was done using in-silico methods. Qualitative phytochemical analysis revealed the presence of key secondary metabolites including alkaloids, flavonoids, phenolics, saponins, terpenoids, and tannins. Quantitative phytochemical analysis showed the abundance of phenolics than flavonoids in the extracts of the plants. In-silico molecular docking studies demonstrated strong binding affinities of selected phytochemicals to antioxidant (e.g., SOD, CAT, GPx) and anti-inflammatory (e.g., COX-1, COX-2, LOX) protein targets with tannic acid having the highest binding affinity for the enzymes excluding COX-2. Drug-likeness and ADMET predictions showed favorable pharmacokinetic profiles for several compounds, where quinone was predicted to be mutagenic. These findings support the traditional use of the studied plants and suggest their potential as sources of bioactive compounds for drug development against oxidative and inflammatory disorders.