Title : In silico in vitro and in vivo study of geraniol role in Alzheimer's disease
Abstract:
Objective: Geraniol exhibits multiple pharmacological effects, yet the role of geraniol in alzheimer's disease remains unclear. This study aimed to elucidate the role of geraniol in alzheimer's through integrated in silico, in vitro, and in vivo approaches.
Methods: Potential targets were identified using DrugBank, TCMSP, and GeneCards databases. Common targets were identified via the Venny tool, and key genes were identified through cytoNCA. GO and KEGG enrichment analyses were performed to explore biological pathways. Molecular docking was conducted to evaluate ligand–target interactions. In vitro ELISA assays (Aβ??, IL-6, NF-κB, Tau) and biochemical estimations (TBARS, GSH, SOD) were performed in three independent experiments, and in vivo studies were carried out using 42 Wistar rats, randomly divided into four groups (n = 6 per group), and behavioral assessments were performed using the Morris Water Maze, Novel object recognition test, Radial arm maze, Three chamber tests.
Results: A total of 148 common targets were identified. Top hub genes (APP, BACE1) were linked to neurodegenerative pathways. GO and KEGG analyses revealed strong associations with alzheimer's disease (APP) pathways. Molecular docking demonstrated stable binding of geraniol with APP (PDB ID: 4XKX) and BACE1 (PDB ID: 1AAP), with binding affinities comparable to Donepezil. In vitro and in vivo experiments demonstrated significant antioxidant, anti-inflammatory, and neuroprotective effects of geraniol compared to control groups.
Conclusion: Geraniol demonstrates strong therapeutic potential in Alzheimer’s diseases through multitarget mechanisms, exhibiting significant neuroprotective, antioxidant, and anti-inflammatory actions.
Keywords: Geraniol, Network Pharmacology, Molecular Docking, In Vitro, In Vivo Studies.
