Potential of Bioactive Compound from Elephantopus scaber Linn. LEAF as Anti-Cancer Through in Silico Test

Elephantopus scaber contains secondary metabolites, such as triterpenoids, sesquiterpene lactones, elephantopin, epifriedelinol, lupeol, stiqmasterol, lupeolacetate, deoxyelephantopin, and isodeoxyelephantopin. The plant can be used for medicinal purposes to treat cancer, diabetes, leukemia, viral and bacterial infections, bronchitis, and hepatitis. Therefore, this research aims to isolate and identify the bio-active compounds in Elephantopus scaber leaf extract and to analyze the effectiveness of binding the constituents through molecular docking against NF-kB. The method used included two stages. The first stage was extraction, fractionation, isolation, and identification, while the second was the in silico test, including the sample preparation, molecular docking, and visualization. The results showed that ۱۰ bioactive compounds had the potential as anti-cancer compounds. Based on the binding affinity of the molecular docking, the compounds with the lowest values were b-amyrin (-۸.۰ kcal/mal), a-amyrin (-۶.۹ kcal/mol), and Cycloartane-۳.beta ۲۵-diol (-۶.۹ kcal/mol). Furthermore, the three compounds have potential as anti-cancer agents.