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Vol. 28 No. 3 (2016): Vol 28 Issue 3

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Interaction of Monoamine Oxidase-B with a Series of Coumarin by Molecular Modeling Methods

https://doi.org/10.14233/ajchem.2016.19447
Wassila Soufi
Laboratory of Natural Products and Bio actives-Lasnabio, University of Abou Bekr Belkaïd, Tlemcen, Algeria
Meriem Merad
Laboratory of Natural Products and Bio actives-Lasnabio, University of Abou Bekr Belkaïd, Tlemcen, Algeria
Fatima Lebbad
Laboratory of Natural Products and Bio actives-Lasnabio, University of Abou Bekr Belkaïd, Tlemcen, Algeria
Said Ghalem
Laboratory of Natural Products and Bio actives-Lasnabio, University of Abou Bekr Belkaïd, Tlemcen, Algeria
Faiza Boukli Hacene
Laboratory of Natural Products and Bio actives-Lasnabio, University of Abou Bekr Belkaïd, Tlemcen, Algeria

Corresponding Author(s) : Said Ghalem

soufi_chimie@yahoo.fr; merad_meriem@yahoo.fr

Asian Journal of Chemistry, Vol. 28 No. 3 (2016): Vol 28 Issue 3

Abstract

Molecular docking studies were performed with UCSF Chimera, to derive the affinity and mode of binding of the inhibitors to the active site of the monoamine oxidase-B. The optimization of the geometry of monoamine oxidase-B was performed using the force field AMBERff03.r1 and calculations the energy by AutoDock Vina implanted in the UCSF Chimera software. This work is to study the inhibition of monoamine oxidase-B which is an enzyme involved in the Parkinson’s disease by methods of molecular modeling. These results will probably help in the development of an effective therapeutic tool in the fight against the development of Parkinson’s disease.

Keywords

Monoamine oxidase-B Parkinson’s disease Coumarin Knime Molecular docking UCSF Chimera
Soufi, W., Merad, M., Lebbad, F., Ghalem, S., & Hacene, F. B. (2015). Interaction of Monoamine Oxidase-B with a Series of Coumarin by Molecular Modeling Methods. Asian Journal of Chemistry, 28(3), 634–638. https://doi.org/10.14233/ajchem.2016.19447
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