MOLECULAR DOCKING AND BIOAVAILABILITY STUDIES OF CAFFEINE AND CAFFEIC ACID COMPOUNDS WITH APOPTOSIS REGULATED PROTEINS
Shanmugam Nadanasabapathi, Manju Vaiyapuri · Journal of Biological and Scientific Opinion · 2014
Oral squamous cell carcinoma is the most common type of oral cancer accounting for almost 90 % of all oral malignancies, around 20 % of cancer burden in India.Caffeine and caffeic acid widely present in many fruits, vegetables, coffee and these compounds having various proved pharmacological health benefits to human.In this study, we investigate the selected apoptotic regulated proteins (receptors) mutant p53, Bcl-2, Bax and casapase-9 from human origin, which is actively involving in oral cancer signaling.The receptors were docked to the caffeine and caffeic acid and the energy value obtained as follows using the Hex 6.0 docking software.These compounds have better bioavailability (ADME) and receptor and ligand interaction leads to involves in apoptosis signaling related to oral cancer.