STUDY OF INTERACTION AND AFFINITY PREDICTION BETWEEN POLYPHENOL COMPOUNDS FROM PINEAPPLE AND TARGET PROTEINS FOR INFLAMMATORY BOWEL DISEASE (IBD) DRUGS

• Main Author: Hanum Rosianna, Rafifah
• Format: Final Project
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/72211
• Institution: Institut Teknologi Bandung

Inflammatory Bowel Disease or commonly abbreviated as IBD is an autoimmune disease which characterized by the occurrence of chronic inflammation in both small and large intestines. Recurring inflammation which goes in a long period of time causes the IBD patient to use anti-inflammatory agent to control the severity of the disease. The plant of pineapple in all its parts contains bioactive compounds including polyphenols which have antioxidant and anti-inflammatory activity. This study which aims to observe the interaction and predict the affinity of polyphenol compounds caffeic acid, p-coumaric acid, 1-O-caffeoylglycerol, 1-O-p-coumaroylglycerol, dan 1,3-O-dicaffeoylglycerol or ananasate found in pineapple plant against the target protein of IBD drug by molecular docking method with AutoDockTools software. Results obtained from in silico study shows that 1,3- O-dicaffeoylglycerol or ananasate is a polyphenol compound found in pineapple leaves that has a good affinity with binding energy of -4.41 kkal/mol and inhibition constant of 586.51 ?M against TNF-alfa which is a target protein in IBD therapy and can be considered as a candidate for IBD drug.