Article Sidebar
Views PDF: 179
Evaluation Of The Therapeutic Effect On Parkinson's Disease Of Compounds From Uncaria Rhynchophylla By Molecular Docking Method
Main Article Content
Abstract
Parkinson's disease (PD) is a complex neurodegenerative disease with prominent features of cerebral dyskinesia, postural instability, facial dyskinesia, muscle stiffness and tremor. Adenosine A2A (A2AAR) is an adenosine receptor that physiologically antagonistic interactions with dopamine receptors present in the striatum and has been implicated in the development of dyskinesia. Monoamine oxidase B (MAO-B) breaks down dopamine into hydrogen peroxide and is therefore related to the damage in PD. This study was conducted to screen potential compounds in Uncaria Rhynchophylla that inhibit dual-target A2AAR/ MAO-B by molecular docking method.. Based on the published literature, we obtained 80 compounds from Uncaria Rhynchophylla. The results showed that out of 80 compounds, 4 compounds including cinchonain Id, hyptatic acid A, uncarinic acid B and ursolic acid lactone showed showed the ability to inhibit both A2AAR and MAO-B targets, satisfying the Linpiski’s rule of five with ADMET pharmacokinetic properties and low toxicity, has potential for development as a drug for Parkinson's.
Article Details
Keywords
Parkinson's disease, A2AAR, MAO-B, molecular docking, Uncaria Rhynchophylla, ADMET.
References
upregulation of GDNF and dopamine. Biochem Pharmacol, 2020. 180: p. 114193.
2. Wang, M., et al., Discovery of novel dual adenosine A1/A2A receptor antagonists using deep learning, pharmacophore modeling and molecular docking. PLoS Comput Biol, 2021. 17(3): p. e1008821.
3. Hevener, K.E., et al., Validation of molecular docking programs for virtual screening against dihydropteroate synthase. J Chem Inf Model, 2009. 49(2): p. 444-60.
4. Acin, S., et al., Triterpene-enriched fractions from Eucalyptus tereticornis ameliorate metabolic alterations in a mouse model of diet-induced obesity. J Ethnopharmacol, 2021. 265: p. 113298.