Molecular Docking and Network Pharmacology Interaction Analysis of Water Lily Seed Extract (Nymphaea pubescens Willd) with Target Inhibitory Mechanism in Alzheimer's Disease

Alzheimer’s disease (AD) is a progressive neurodegenerative disorder characterized by cognitive decline and limited therapeutic options. Targeting amyloid precursor protein (APP) processing and butyrylcholinesterase (BChE) activity is considered a promising strategy for AD treatment. This study investigated the potential molecular mechanisms of the water lily seed (Nymphaea pubescens Willd.) ethanolic extract in AD using network pharmacology and molecular docking. Bioactive compounds and their targets were identified from the SEA, DisGeNET, and Open Targets databases, followed by construction of a protein–protein interaction network, gene ontology, and KEGG pathway enrichment analyses. Molecular docking was performed to assess interactions between selected compounds and key AD-related targets. Five overlapping genes were identified, with APP and BChE showing high centrality in the network. Docking results indicated predicted binding interactions of major compounds to APP and BChE, with binding energies ranging from −6.0 to −7.9 kcal/mol. These binding energy values should be interpreted cautiously as preliminary computational predictions. In silico pharmacokinetic analysis indicated acceptable drug-likeness properties. Overall, the findings indicate that compounds from N. pubescens seed extract may interact with multiple AD-related targets at the computational level; however, these results remain preliminary and require further experimental validation.