Interaction of Linolenic Acid from Papaya Plant (Carica Papaya) on Peroxome Proliferator-Actived Receptor Delta as Colorectal Cancer Cell Inhibitor
Keywords:
Linolenic Acid, Papaya Plant (Carica papaya), Peroxisome Proliferator, Activated Receptor Delta (PPAR-δ), Colorectal Cancer Cell Inhibition, Lepinski Rule of FiveAbstract
This study examines the interaction of linolenic acid from the papaya plant (Carica papaya) on peroxisome proliferator-activated receptor delta (PPAR-δ) as an inhibitor of colorectal cancer cells. The research methodology involved computational modeling and simulation using Pymol, Pyrex, and Protein Plus. With Pymol and Pyrex, the binding affinity of linolenic acid to PPAR-δ was obtained with values of -6.9, -6.8, and -6.7, and Root Mean Square Deviation (RMSD) with values of 0, 1.18, and 1.318. Protein Plus results indicate an interaction between linolenic acid and PPAR-δ. This study also took into account the Lepinski Rule of Five to predict the bioavailability of linolenic acid in biological systems. The parameters include molecular mass 249, hydrogen bond donor 1, hydrogen bond receiver 2, log P 0.8005, and molar reactivity 64.0568. The results of this study indicate the potential of linolenic acid from papaya plants as a PPAR-δ inhibitor in the treatment of colorectal cancer.
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