Computational study of ADME-Tox prediction of selected phytochemicals from <i>Punica granatum</i> peels
Aneeqa Batool, Shagufta Parveen, Nusrat Shafiq, Maryam Rashid, Ahmad Mohammad Salamatullah, Samir Ibenmoussa, Mohammed Bourhia
Abstract
Abstract 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.