In Vitro and In Silico Evaluation of Essential Oil from Apium graveolens L. Leaves: Inhibition of Amyloid-β Aggregation, Cholinesterase Activity, and Inflammation-Related Targets in Alzheimer’s Disease

Alzheimer’s disease is the leading cause of dementia worldwide. The neuroprotective impact of essential oil from Apium graveolens L. leaves collected in Türkiye was investigated. The celery leaves oil was extracted by hydrodistillation, and its chemical constituents were analyzed using Gas Chromatography-Mass Spectrometry (GC-MS), followed by anti-beta amyloid cytotoxicity, anticholinesterase, anti-inflammatory, and antioxidant potential. The main essential oil constituents were then tested for their ability to inhibit AChE and BuChE using molecular docking studies. From the essential oil yield (0.1% (w/w)), fourteen components were identified, with l-limonene accounting for the majority (35.4%), followed by cis-ocimene (21.47 %), umbellulone (10.98 %), and enzenemethanol, α-ethyl (10.75%). The oil exhibited significant neuroprotection against Aβ1-42 at a concentration of 1:2x104 dilution from the stock solution (0.1 µl/mL) on SH-SY5Y cells. This concentration increased the viability of cells from 67% to 85.84% against 15 μM Aβ1-42 toxicity. The oil exhibited AChE and BuChE inhibitory potential with (IC50: 22 and 43 µg/mL, respectively). The oil has shown significant antioxidant ability and inhibited COX-1 and COX-2. In all instances, the docking scores for AChE are notably higher than those for BuChE across all tested compounds. Among the investigated test compounds, 1-Limonene exhibits the highest docking scores. In conclusion, the neuroprotective effects of oil highlight its potential for creating novel drugs for AD.