ANALYSIS OF THE INTERACTION OF ALICIN BINDINGS ON PPARG USING MOLECULAR DYNAMICS SIMULATION
Abstract
Allicin is one of the compounds contained in garlic which previous research predicted could be obtained using PPARG (Peroxisome Proliferatr Activated Receptor Gamma). However, short research requires further analysis, namely molecular dynamics. This research aims to analyze the interaction of allicin binding to PPARG used molecular dynamics. The dynamic molecular method used Gromac 2023 software with the chemical structure of allicin obtained from Pubchem data, while PPARG data was obtained from RCSB website. The results obtained from this study indicate that allicin interacts with similar amino acids as pioglitazone. However, its energy affinity is not as great as pioglitazoe. Based on the results of this research, it shows that allicin is predicted to be able to interact with PPARG in a molecular dynamic manner
Keywords: Allicin, PPARG, Molecular dynamics.
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