IN-SILICO STUDY OF HERBAL COMPOUNDS AS NOVEL MAO-B INHIBITOR FOR PARKINSON’S DISEASE TREATMENT

Parkinson disease (PD) is the second most common neurodegenerative disorder.Monoamine oxidase B(MAOB) is expressed in the mitochondrial membrane and has a key role in degrading various neurologicallyactive amines such as benzylamine, phenethylamine and dopamine with the help of Flavin adeninedinucleotide (FAD) cofactor and have important functions in the metabolism of neuroactive and vasoactiveamines in the central nervous system. ۳D structure of MAOB were used from PDB database and are availablewith PDBID (۲V۵Z). Some novel herbal bioactive compounds have been reported to be useful inneurodegerative disorders, depression and have antioxidative property. Docking was successfully performedfor MAO B protein with ۳۵ herbal compounds and active site coordination was found to be similar as thetemplate residues involved in binding with experimentally used inhibitors. The binding affinities computedusing autodock-vina are shown to be non-reliable. To be effective as a drug, a potent molecule must reach itstarget in the body in sufficient concentration, and stay there in a bioactive form long enough for the expectedbiologic events to occur. Drug development involves assessment of absorption, distribution, metabolism andexcretion (ADME) increasingly earlier in the discovery process, at a stage when considered compounds arenumerous but access to the physical samples is limited. According to the above, it was found that herbalcompounds (coumarin, Vanilic acid, Cinnamic acid, Isoferulic acid) can have a significant effect in thetreatment of Parkinson's disease.

کلیدواژه ها:

Parkinson disease ، modeling ، Monoamine oxidase B inhibitor ، docking ، Herbal compounds