No abstract

: The GSK-3β enzyme is related to neuronal cell degeneration presented in Alzheimer’s Disease (AD). The objective of this research was to propose analogues of GSK-3β inhibitors through the search for inhibitors of this enzyme, derivation of the pharmacophore patterns of those inhibitors, molecular docking, ADME/Tox prediction, molecular modifi- cations and prediction of synthetic viability. Six analogues were obtained from the inhibitor CID 57399952, since it presents favorable ADME properties and, as disadvantage, only presents mutagenicity. After modifications, all analogues presented absence of alerts of mutagenic and carcinogenic activity, both for rats and mouse, likewise all presented low risks alerts for inhibition of hERG and medium prediction of synthetic viability. It is concluded that the analogues to GSK-3β inhibitors were optimized in relation to the toxicity of template, being presented as promising drug candidates for Alzheimer’s disease treatment.