In silico design of novel gold-phosphate containing compounds as selective inhibitors of cathepsin B in neuroinflammation

Aim: Alzheimer’s disease is characterized by pathological protein aggregates and microglia-driven chronic neuroinflammation. Cathepsin B has been proposed as the potential target for inhibiting adverse activation of microglia and slowing down this neurodegenerative disease. Currently available inhibitors of cathepsin B enzymatic activity are non-selective; therefore, the design and synthesis of novel specific inhibitors could facilitate the development of a new class of anti-Alzheimer medications targeting the neuroinflammatory component of this