MOLECULAR DOCKING AND BIOAVAILABILITY STUDIES OF CAFFEINE AND CAFFEIC ACID COMPOUNDS WITH APOPTOSIS REGULATED PROTEINS
Journal Title: Journal of Biological and Scientific Opinion - Year 2014, Vol 2, Issue 1
Abstract
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.
Authors and Affiliations
Nadanasabapathi S, Manju V
Keywords
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- EP ID EP110125
- DOI 10.7897/2321–6328.02114
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