Probing the inhibitory potential of halogenated symmetrical formamidine against MAO-A and MAO-B : structural elucidation, molecular dynamic simulation and DFT computational studies

Abstract

Please read abstract in the article.

Description

DATA AVAILABILITY STATEMENT : The data that support the findings of this study are openly available in Cambridge Crystallographic Data Centre at https://www.ccdc.cam.ac.uk/structures/search?Ccdcid=2423556&DatabaseToSearch=CSD, reference number 2423556.

Keywords

Crystal structure, Parkinson's disease, Formamidine, Monoamine oxidase A (MAO-A), Monoamine oxidase B (MAO-B), Density functional theory (DFT)

Sustainable Development Goals

SDG-03: Good health and well-being
SDG-12: Responsible consumption and production

Citation

Oladipo, S.D., Luckay, R.C., Olalekan, S.O. et al. 2025, 'Probing the inhibitory potential of halogenated symmetrical formamidine against MAO-A and MAO-B: structural elucidation, molecular dynamic simulation and DFT computational studies', Chemistry and Biodiversity, vol. 22, no. 10, art. e00886, pp. 1-17, doi : 10.1002/cbdv.202500886.