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All Journal Jurnal Riset Rumpun Ilmu Kedokteran (JURRIKE)
Emni Purwoningsih
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Health Professions Medicine & Pharmacology Nursing Public Health Veterinary

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Neuroprotective Potential of Oleic Acid and Alpha Tocopherol on Memory Function: In-Silico Docking and ADMETox Regita Herlianda Cahyani; Emni Purwoningsih; Luhu Avianto Tapiheru; Humairah Medina Liza Lubis
JURNAL RISET RUMPUN ILMU KEDOKTERAN Vol. 5 No. 2 (2026): Agustus: Jurnal Riset Rumpun Ilmu Kedokteran
Publisher : Lembaga Pengembangan Kinerja Dosen

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55606/jurrike.v5i2.10263

Abstract

Decreased levels of brain-derived neurotrophic factor (BDNF) are closely related to neurodegenerative diseases such as Alzheimer's. This causes a decrease in cognitive function, memory and behavior due to a decrease in the BDNF protein which has the main function of protecting nerve growth, plasticity, nerve resilience, as well as being an important shield against nerve degeneration. Objective: of this research is to analyze the interaction between the oleic acid and alpha tocopherol ligands with the BDNF protein by molecular docking, as well as to analyze the ADMETox compounds of oleic acid and alpha tocopherol. Methods: This research is descriptive analytical. Molecular docking uses the Autodock tools, LigandScout, Discovery Studio, and Marvin Sketch applications. ADMETox analysis uses the SwissADME, ADMETlab 2.0, and ProTox-II sites. Results: the binding energy of oleic acid compounds to BDNF, TrkB, and CREB is -3.13 kcal/mol, -6.13 kcal/mol, and -3.70 kcal/mol. The binding energy results for alpha tocopherol compounds on BDNF, TrkB, and CREB are -5.67 kcal/mol, -8.04 kcal/mol, and -7.04 kcal/mol. ADMETox found that alpha tocopherol and oleic acid compounds fulfill Lipinski's rule of five and do not inhibit cytochrome P450 enzymes. Conclusion: Oleic acid and alpha tocopherol bind to BDNF, TrkB and CREB proteins and are safe for oral consumption.
Analisis Interaksi Alfa Tokoferol dan Asam Oleat terhadap Asetilkolin dan Asetilkolinesterase Otak dengan Analisis Doking Molekuler Nurul Nazla; Emni Purwoningsih; Luhu Avianto Tapiheru; Melviana Lubis
JURNAL RISET RUMPUN ILMU KEDOKTERAN Vol. 5 No. 2 (2026): Agustus: Jurnal Riset Rumpun Ilmu Kedokteran
Publisher : Lembaga Pengembangan Kinerja Dosen

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55606/jurrike.v5i2.10309

Abstract

Acetylcholine is an essential neurotransmitter in modulating the function of the human central nervous system. The pathogenesis of Alzheimer’s disease is characterized by an acetylcholine deficit resulting from the accumulation of beta-amyloid plaques and tau protein neurofibrillary tangles, which directly trigger cognitive decline in patients. To determine the binding energy and inhibition constants for the interactions between acetylcholine and acetylcholinesterase proteins with alpha-tocopherol and oleic acid. In silico analysis using molecular docking methods with Autodock Tools and Marvin Sketch software. The results of the docking analysis were then visualized using Discovery Studio and LigandScout software. The binding energies and inhibition constants of acetylcholine with oleic acid and alpha-tocopherol were -4.96 kcal/mol and 229.99 μM, and -6.35 kcal/mol and 22.13 μM, respectively. The binding energies and inhibition constants of acetylcholinesterase for oleic acid and alpha-tocopherol were -5.11 kcal/mol and 179.45 μM, and -8.35 kcal/mol and 0.75845 μM, respectively. Oleic acid and alpha-tocopherol can interact with acetylcholine and acetylcholinesterase through the formation of hydrogen bonds.
Co-Authors Humairah Medina Liza Lubis Luhu Avianto Tapiheru Melviana Lubis Nurul Nazla Regita Herlianda Cahyani