Multi-Omics Characterization of ALS-Associated Protein Targets and Docking Evaluation of Novel Herbal Bioactive Drug Agents

Abstract

Amyotrophic lateral sclerosis (ALS) is a multifactorial neurodegenerative disorder characterized by progressive motor neuron degeneration and complex molecular dysregulation. This study integrates transcriptomic and proteomic datasets to identify high-confidence ALS-associated protein targets for therapeutic intervention. Differential expression analysis and pathway enrichment were performed to prioritize candidate biomarkers implicated in oxidative stress, protein misfolding, and neuroinflammatory pathways. Structural modeling and validation of selected targets preceded computational docking studies. A curated library of herbal bioactive compounds was screened to evaluate binding interactions and predicted affinity toward prioritized protein targets. Interaction mapping focused on catalytic domains and regulatory sites associated with disease progression. The objective is to generate a ranked list of phytochemical candidates with potential modulatory activity against ALS-related proteins. This integrative multi-omics and docking-based framework provides a systematic strategy for early-stage herbal drug discovery in neurodegenerative disease research.