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

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. Comp...

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Bibliographic Details
Main Authors: 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: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Biomedicines
Subjects:
flavonoids
Parkinson’s Disease
monoamine oxidases A and B
acacetin
docking
Online Access:https://www.mdpi.com/2227-9059/9/10/1304

Internet

https://www.mdpi.com/2227-9059/9/10/1304

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