Computationally Assisted Lead Optimization of Novel Potent and Selective MAO-B Inhibitors

A series of dietary flavonoid acacetin 7-<i>O</i>-methyl ether derivatives were computationally designed aiming to improve the selectivity and potency profiles against monoamine oxidase (MAO) B. The designed compounds were evaluated for their potential to inhibit human MAO-A and -B. Compounds <b>1c<...

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Autors principals:	Vedanjali Gogineni, Manal A. Nael, Narayan D. Chaurasiya, Khaled M. Elokely, Christopher R. McCurdy, John M. Rimoldi, Stephen J. Cutler, Babu L. Tekwani, Francisco León
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2021-09-01
Col·lecció:	Biomedicines
Matèries:	flavonoids Parkinson’s Disease monoamine oxidases A and B acacetin docking
Accés en línia:	https://www.mdpi.com/2227-9059/9/10/1304
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