Computational Evaluation of Peanut Skin Bioactive Compounds for Cancer Treatment

A ubiquitous crop grown almost everywhere in the world are peanuts (Arachis hypogaea), which have edible seeds with positive health effects. The shell and skin of peanuts contain phenolic compounds, flavonoids, carotene, and other nutrients, and peanuts are an abundant source of protein, vitamins, and minerals. According to research activities, the anti-cancer compound resveratrol is present in peanuts. This research concentrates on the active compounds found in peanut skin and investigates their potential anti-cancer properties. Using gas chromatography-mass spectrometry, a qualitative analysis of peanut skin revealed the existence of several medicinally active compounds like azulene, farnasene, and bisabolene. Using the argus lab software program, the in silico anti-cancer activity of these active compounds from peanut was investigated against the non-small lung cancer protein CBX3 (Chromobox protein homolog 3). Each one of the examined compounds displayed a strong binding potential in the range of −11.36 kcal/mol to −13.50 kcal/mol. According to docking studies, the sesquiterpene from peanut skin, beta-bisabolene, had the highest binding score of −13.50 kcal/mol and could therefore be a possible anti-cancer drug, among other substances.