Design, synthesis, and in vitro evaluation of novel 1,3,4-oxadiazolecarbamothioate derivatives of Rivastigmine as selective inhibitors of BuChE

Inhibitory potential of nitrogen, oxygen and sulfur containing heterocyclic scaffolds against acetylcholinesterase and butyrylcholinesterase

“…Docking studies showed the range of binding affinity for the best poses of individual conformers for any compound was between −7.81 70 and −6.75 71 kcal mol −1 . Recent essay data survey indicates that BChE plays a significant interest role in AD, especially at the advance stage of the disease, therefore these selective BChE inhibitors can be favorable drug candidates in the future 192 ( Table 3 ).…”

“…The piperidines were tested in vitro for inhibitory activity against AChE, and in silico studies were carried out for all analogs using molecular docking, pharmacophore mapping, and QSAR investigation to better appreciate the structural topographies mandatory for interaction with the AChE enzyme and the main active site residues implicated in intermolecular interactions. Nitration, halogenation, or 3,4-methylenedioxysubstitution at the benzene ring linked to the 2-and 6carbons of the 1,2,5,6-tetrahydropyridine nucleus signicantly improved the AChE inhibitory effect of compounds [191][192][193][194][195][196][197][198] According to docking studies, the inhibitors t neatly in the active sites. Researchers will be able to better grasp how to alter scaffolds for improved therapeutic effectiveness against AD based on in silico tests 246 (Table 8).…”

“…Rivastigmine is additionally a dual inhibitor of AChE and BChE. 156,157 Rivastigmine is the only carbamate medicine that is prescribed to cure the symptoms of AD in patients. Other important functions of the carbamate group in pharmaceuticals include chemical stability, the ability to enhance permeability across cellular membranes, and participation in serine hydrolase inhibitors to cure asthma and pesticides for pest control.…”