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Abstract

INSILICO IDENTIFICATION OF NEWER POTENTIAL GLYCOGEN SYNTHASE KINASE 3β INHIBITORS FOR TREATMENT OF ALZHEIMER DISEASE

*Dr. R. Priyadarsini, Balachandar S., Dinesh Kumar M., Prethika G., Mythili Priya M., Safana Noori M. S.

Abstract

Alzheimer's disease is a progressive neurologic disorder that causes the brain to shrink (atrophy) and brain cells to die. Alzheimer's disease is the most common cause of dementia — a continuous decline in thinking, behavioural and social skills that affects a person's ability to function independently. Aim: This prompted us to design newer GSK- 3β inhibitor as efficient therapeutic drugs for the treatment of Alzheimer's Disease. Materials and Methods: Based on the common pharmacophoric features for the inhibition of GSK-3β inhibitors, a series of leads were designed using computational methods. A virtual library consisting of newly designed 70 molecules as GSK-3β inhibitors was constructed. Based on these facts, a virtual library has been generated with 70 newly designed ligands containing imidazole, benzimidazole, aminothiazole, oaxzole, thaiazole, benzimidazole heterocyclic nucleus as GSK-3β inhibitors(70). The binding mechanism of newly designed ligands with target enzymes GSK-3β inhibitors was studied using a Autodock tools 1.5.6. Conclusion: The designed compounds were subjected and filtered by applying ADMET properties. The newly designed ligands GSK-3 I14, GSK-3 I30, GSK-3 I34, GSK-3 I41, GSK-3 I45, GSK-3 I47, GSK-3 I52, GSK-3 I56, GSK-3 I60, GSK-3 I66, GSK-3 I67, GSK-3 I69 were found to be highly active hits.

Keywords: Alzheimer's disease, GSK-3?, ADMET properties, docking studies.


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