In vitro and In silico study of antioxidants and anti-inflammatory activity of bitter leaves (Vernonia amygdalina del.) Extract

Bitter leaves (Vernonia amygdalina) are known by the people of Southern Nigeria as a traditional medicine that can be used for various diseases. Bitter leaves have compounds that act as antioxidants to neutralize free radicals and have anti-inflammatory effects, which regulate arachidonic acid metabolism by inhibiting the activity of cyclooxygenase (COX) and lipoxygenase. The study aims to determine the secondary metabolite content of bitter leaf extract and antioxidant and anti-inflammatory activity using in vitro and in silico assays. Antioxidant activity​​ was evaluated using the DPPH method, while anti-inflammatory ​​was carried out using the protein denaturation method and spectrophotometry. Meanwhile, an in silico study was conducted using computational molecular docking tests. The study results showed the methanol extract of Bitter Leaves contained secondary metabolites in the form of alkaloids, flavonoids, tannins, saponins, and steroids with total phenolics of 112.067 ± 0.157135 (mgGAE/g) and total flavonoids of 32.808 ± 1.473139 (mgQE/g). The bitter leaf extract exhibits potent antioxidant activity with an IC50 = 6.10 ppm and an anti-inflammatory IC50 = 25.33 ppm. The docking results showed that the bioactive compounds of bitter leaves have potential anti-inflammatory activity based on the binding energy value, inhibition constant, and average bond distance. Bitter leaves have compounds acting as antioxidants and anti-inflammatory effects, as shown in in vitro and in silico studies.  Keywords: