Robust and predictive 3D-QSAR models for predicting the activities of novel oxadiazole derivatives as multifunctional anti-Alzheimer agents.

In recent years, Alzheimer disease (AD) as a neurodegenerative disorder has been increasing annually with the aging of the global population, therefore, development of novel anti-AD drugs is imperative. Studies have proven that glycogen synthase kinase-3β (GSK-3β) is a pivotal factor in the development of AD. Therefore, GSK-3β inhibitors would provide powerful means to treat the disorders, such as AD.

Exploring details about structure requirements based on antioxidant tripeptide derived from β-Lactoglobulin by in silico approaches.

β-Lactoglobulin is one of the proteins in milk possessing antioxidant activity. The peptides derived from β-Lactoglobulin exhibit higher antioxidant activities than the most commonly used antioxidant. Furthermore, the detailed structure-activity relationship of these antioxidant peptides has not been elucidated.