Discovery of Novel Anti-Acetylcholinesterase Peptides Using a Machine Learning and Molecular Docking Approach.
Journal:
Drug design, development and therapy
Published Date:
Jun 14, 2025
Abstract
OBJECTIVE: Alzheimer's disease poses a significant threat to human health. Currenttherapeutic medicines, while alleviate symptoms, fail to reverse the disease progression or reduce its harmful effects, and exhibit toxicity and side effects such as gastrointestinal discomfort and cardiovascular disorders. The major challenge in developing machine learning models for anti-acetylcholinesterase peptides discovery is the limited availability of active peptide data in public databases. This study primarily aims to address this challenge and secondarily to discover novel, safer, and less toxic anti-acetylcholinesterase peptides for better Alzheimer's disease treatment.
