Document Type
Article
Abstract
A series of dietary flavonoid acacetin 7-O-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 1c, 2c, 3c, and 4c were the most potent with a Ki of 37 to 68 nM against MAO-B. Compounds 1c–4c displayed more than a thousand-fold selectivity index towards MAO-B compared with MAO-A. Moreover, compounds 1c and 2c showed reversible inhibition of MAO-B. These results provide a basis for further studies on the potential application of these modified flavonoids for the treatment of Parkinson’s Disease and other neurological disorders.
Digital Object Identifier (DOI)
Publication Info
Published in Biomedicines, Volume 9, Issue 10, 2021, pages 1304-.
Rights
© 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
APA Citation
Gogineni, V., Nael, M. A., Chaurasiya, N. D., Elokely, K. M., McCurdy, C. R., Rimoldi, J. M., Cutler, S. J., Tekwani, B. L., & León, F. (2021). Computationally Assisted Lead Optimization of Novel Potent and Selective MAO-B Inhibitors. Biomedicines, 9(10), 1304–1304. https://doi.org/10.3390/biomedicines9101304