Computational study of ADME-Tox prediction of selected phytochemicals from Punica granatum peels

Pomegranate (Punica granatum) is one of the oldest well-known edible fruits, which has originated in Central Asia but now it has a widespread geographical distribution throughout the world. Phytochemicals are isolated from the pomegranate peels that show different nutritional and pharmaceutical properties. Absorption, distribution, metabolism, excretion, and toxicity (ADME-Tox) were performed to check the adsorption, distribution, metabolism, excretion, and toxicity of compounds. Previous studies mainly focused on the physico-chemical properties but other parameters are also important for the ADMET study. Six active phytochemicals B9, B29, B30, B45, B55, and B70 show good ADMET properties and can be used for drug discovery in the future.