The potential of 12 flavonoid compounds as alzheimer’s inhibitors through an in silico approach

Neurodegenerative disorders (NDD) are age-related condition characterized by a progressive decline in brain functions. This condition has influenced more than 8% of the adult population worldwide, predominately with Alzheimer’s disease (AD). Currently, NDD treatment is addressed to relieve existing symptoms, so the effective medication is urgently needed. Flavonoids offer remarkable pharmacological properties applicable to be neuroprotective agents. This study aimed to determine the activity of flavonoid compounds against AD by inhibiting acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) receptors. The method utilized molecular docking studies with the AutoDockTools 4.2.6 program. Analysis of pharmacochemical properties were carried out using SwissADME, while pharmacokinetics and toxicity were examined in the pkCSM web server. The results indicated that α-amyrin and pinoresinol were the most potential AChE and MAO-B inhibitor, respectively. The compounds have lower energy binding values, inhibition constants, and high percentage of similarity with amino acid residues in the ligand native. Analysis of the physicochemical and pharmacokinetic properties showed that these two compounds are acceptable to the body and provides no toxicity. This study demonstrated that the compounds α-amyrin and pinoresinol might potential to be therapeutic agent which primarily act to inhibit AChE and MAO-B in AD progression.