In silico modeling for dual inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes in Alzheimer’s disease
Vinay Kumar, Achintya Saha, Kunal Roy
Topics & Concepts
ButyrylcholinesteraseAcetylcholinesteraseChemistryIn silicoQuantitative structure–activity relationshipEnzymeStereochemistryAchéMolecular modelEnzyme inhibitionMolecular descriptorDocking (animal)Active siteComputational chemistryBiochemistryGeneMedicineNursingComputational Drug Discovery MethodsCholinesterase and Neurodegenerative DiseasesSynthesis and biological activity