eng Oriental Scientific Publishing Company Biosciences Biotechnology Research Asia 0973-1245 2025-12-30 22 4 1605 1618 10.13005/bbra/3463 56887 article Neha Vilas Pagare 1 Soniya Vaibhav Katore 1 Namrata Rajesh Adhav 1 Ajay Sanjay Mule 2 Harshali Narayan Anap 3 Department of Pharmaceutical Chemistry, PRES's college of Pharmacy (D and B Pharm), Chincholi, Sinner, Nashik Maharashtra, India.. Department of Pharmaceutical Chemistry, Pravara Rural College of Pharmacy Pravaranagar, Rahata, Ahmednagar, Maharashtra, India. Department of Pharmaceutical Chemistry, Trimurti Gramin pharmacy College, Trimurti Nagar; Newasa Phata, Khadke, Newasa, Ahilayanagar, Maharashtra, India Memory loss and cognitive impairment are the main symptoms of Alzheimer's disease (AD), a neurodegenerative brain illness that affects millions of people globally. Alzheimer's disease is a neurodegenerative illness that is characterized by pathological features such as β-amyloid deposits and neurofibrillary tangles in the cerebral cortex. Therefore, identifying strong (PDB ID: 7E3H) inhibitors is an important and urgent objective for their potential use in Alzheimer's disease treatment. We have optimized the geometry of the analyzed structures using the AM3 semi-empirical approach. We have utilized offline resources for molecular docking research, including Marvin Sketch for chemical structure representation and the Protein Data Bank for PDB protein file downloads. These tools are a supplement to internet resources like PyRx 0.9, Swiss ADMET, and PubChem. We used the Swiss Protein Data Bank Viewer for protein synthesis. This work has shown that the structures under consideration generally form stronger complexes with the enzyme than the known inhibitor. In light of the molecular docking studies, the compounds leaders (S)-2-((4-((3-methyl-5-phenyl-1,2,4-oxadiazol-2(3H)-yl)methyl) phenyl)amino)-N-phenylacetamide AM1 and (R)-2-((4-((3-methyl-5-phenyl-1,2,4-oxadiazol-2(3H)-yl)methyl)phenyl)amino)-N-(2-nitrophenyl) acetamide AM2, and 1-(2-chlorophenyl)-3-((4-(((3S,5R)-3-methyl-5-phenyl-1,2,4-oxadiazolidin-2-yl)methyl) phenyl) amino) propane-1,2-dione AM 8 have been chosen. The Lipinski criterion compliance of the compound leaders' structures has been examined. Proponents of the medications on the list could suggest more research on treating Alzheimer's disease. In vitro and in vivo biological tests are still required despite the positive outcomes of in silico research. https://www.biotech-asia.org/vol22no4/oxadiazole-skeleton-with-in-silico-modelling-and-docking-study-with-neuroprotective-effects-of-cholinesterase-inhibitors-of-pdb-id-7e3h-on-alzheimers-disease/ Alzheimer’s disease; Docking; In silico Study; 1 3 4-oxadiazole; PDB:7E3H