Synthesis, characterisation, in silico & in vitro anti-cholinesterase activity of some novel 2 amino 5-substituted oxadiazoles

Abstract

An individual with Alzheimer's disease (AD) experiences cognitive decline, memory loss, and behavioral abnormalities. The complex condition known as AD is brought on by acetylcholinesterase (AChE), which breaks down acetylcholine. The current investigation aimed to evaluate synthetic AChE inhibitors that may be utilized to treat AD. To do this, synthetic two amino five substituted oxadiazole derivative compounds (1a-5e) were assessed and shown to be potential AChE inhibitors, with IC50 values ranging from 73 ± 0.67 to 98 ± 0.7 µmol/min/mg of tissue. In silico docking investigations were performed using Schrodinger, revealing that most of the compounds are held together by ?–? and hydrogen bonding and interact with the anionic subsite of AChE. Chem Bio Draw Ultra 12.0 (www.cambridgesoft.com) was used to create the 2D structures of each drug. 2. The RSC PDB (www.rscb.org) provided the crystallographic three-dimensional structure of AChE target receptors, with PDB ID: 4EY5 &604 w for AChE. The most potent compound is 5e; consequently, these compounds can potentially be used as therapeutic agents to treat AD and its related conditions because of their AChE inhibitory capacity cytotoxicity safe profile.