Revealing the role of fluorine pharmacophore in chalcone scaffold for shifting the MAO-B selectivity: investigation of a detailed molecular dynamics and quantum chemical study
| Autor: | Mohamed A. Abdelgawad, Bijo Mathew, Fisayo A. Olotu, Siju Ellickal Narayanan, Mahmoud E. S. Soliman, Monu Joy |
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| Rok vydání: | 2020 |
| Předmět: |
Chalcone
Monoamine Oxidase Inhibitors Chemistry Monoamine oxidase chemistry.chemical_element General Medicine Fluorine Molecular Dynamics Simulation Combinatorial chemistry chemistry.chemical_compound Molecular dynamics Structure-Activity Relationship Chalcones Structural Biology Catalytic Domain Density functional theory Monoamine oxidase B Pharmacophore Selectivity Molecular Biology Monoamine Oxidase |
| Zdroj: | Journal of biomolecular structuredynamics. 39(16) |
| ISSN: | 1538-0254 |
| Popis: | The development of highly selective monoamine oxidase-B (MAO-B) inhibitors has great therapeutic benefit in treatment of various neurodegenerative disorders. Recent study documented that shifting of fluorine atom from |
| Databáze: | OpenAIRE |
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