Curcumin analogs as anti-cathepsins agents: Designing, virtual screening, and molecular docking analysis

Abstract Anti-cathepsin B agents can be potential drug candidates in the prevention and cure of Alzheimer's disease. The enzyme has been found to be involved in amyloid-β, accumulation which has been considered to be one of the possible causes of Alzheimer’s disease. Curcumin, a biologically active ingredient of the natural product turmeric is reported as an anti-Alzheimer agent. Its low solubility and low bioavailability limit its use as a drug. In our present study, we designed and analyzed curcumin analogs as potent anti-cathepsin agents using computational methods. Drug-likeness properties, Bioactivity score, ADME properties were determined. Thereafter toxicity assessment and molecular docking were carried out. In addition, cathepsin B interaction studies with structurally related cathepsin H and L are also reported.