Skripsi
NETWORK PHARMACOLOGY DAN MOLECULAR DOCKING EKSTRAK DAUN KELOR (Moringa oleifera) DALAM PREDIKSI AKTIVITAS TERAPI ALZHEIMER
The incidence of Alzheimer’s disease continues to increase and has become one of the major neurodegenerative disorders characterized by a decline in cognitive function, memory, and behavioral changes in the elderly population. Current Alzheimer’s therapy generally relies on synthetic drugs that may cause adverse effects; therefore, safer alternative therapies based on natural products are needed. Moringa leaves (Moringa oleifera) are known to contain various bioactive compounds with potential neuroprotective activity. This study aimed to explore the potential of bioactive compounds from Moringa leaves as candidates for Alzheimer’s therapy using network pharmacology and molecular docking approaches. Phytochemical compounds of Moringa leaf extract were identified using the LC-HRMS method. Prediction of protein targets of the active compounds was performed using the SwissTargetPrediction and GeneCards databases to determine proteins associated with Alzheimer’s disease. Compound-protein interaction and protein-protein interaction analyses were conducted using Cytoscape, STRING, and STITCH. Furthermore, molecular docking simulation using AutoDock Vina was carried out to validate the binding affinity between active compounds and the main targets. Network pharmacology analysis identified several important protein targets involved in Alzheimer’s pathogenesis, namely MAPT, BACE1, and TNF, along with several potential active compounds derived from Moringa leaves. Molecular docking results showed that quercetin had the strongest binding affinity with a binding energy value of -6.92 kcal/mol, which was lower than the reference ligand rivastigmine (-5.078 kcal/mol), indicating a more stable interaction with the target proteins. Based on these findings, Moringa leaves have the potential to be developed as a natural-product-based candidate for Alzheimer’s therapy through a multitarget mechanism. Keywords: Alzheimer’s disease, Moringa oleifera leaves, molecular docking, neuroprotective, network pharmacology