Interactions of Curcumin with Parkinson s Disease Agent Protein: Molecular Dynamics Simulation

Parkinson disease (PD), a chronic progressive neuro-degenerative disorder predominantlyaffecting elderlypeople, is mainly characterized by resting tremor, rigidity, bradykinesia, posturalinstability and gait disorder [1]. The presence of Lewy bodies (LB) and Lewy neurites (LN),proteinaceous inclusions whose main constituent is fibrillary-aggregated α-synuclein, is adefining neuropathological alteration observed in the brain of affected patients [2].Recently, novel therapies involving natural antioxidants and plant-derived molecules likecurcumin with neuroprotective properties are being exploited for adjunctive therapy. Curcuminexhibits antioxi-dant, anti-inflammatory and anti-cancer properties, crosses the blood-brainbarrier and is neuroprotective in neurological disorders [3].We examined the ability of curcumin to probable prevention of protein aggregationleading to PD by molecular dynamics simulation (MD). The results of the simulation studieswere presented as structural data like hydrogen bonding, interacting residues and variousdistribution functions as well as energetics of the considered system. The interaction energies,and the contribution of lennard-Jones and electrostatic interactions in intarction energy have beenalso analysed. Collectively; our results suggest that curcumin and probably polyphenoliccompounds derived from curcumine can be pursued as potential therapeutic agents forprevention and treatment of PD and similar neurological diseases.

کلیدواژه ها:

Parkinson s Disease ، α-synuclein ، Curcumin ، Lewy Bodies ، M.D simulation