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- W3076299437 abstract "Monoamine oxidases (MAOs) are important drug targets for the management of neurological disorders. Herein, a series of new 1,3,4-thiadiazole derivatives bearing various alkyl/arylamine moieties as MAO inhibitors were designed and synthesized. All of the compounds were more selective against hMAO-A than hMAO-B. The half maximal inhibitory concentration (IC50) values of most of the compounds were lower than that of the common drug moclobemide (IC50 = 4.664 μM) and compound 6b was proven to be the most active compound (IC50 = 0.060 μM). Moreover, it was seen that compound 6b showed a similar inhibition profile to that of clorgyline (IC50 = 0.048 μM). The inhibition profile was found to be reversible and competitive for compound 6b with MAO-A selectivity. Molecular modelling studies aided in the understanding of the interaction modes between compound 6b and MAO-A. Furthermore, this compound was predicted to have a good pharmacokinetic profile and high BBB penetration. Therefore, such compounds are of interest towards developing new MAO inhibitors." @default.
- W3076299437 created "2020-08-24" @default.
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- W3076299437 date "2020-01-01" @default.
- W3076299437 modified "2023-10-18" @default.
- W3076299437 title "Novel 1,3,4-thiadiazole compounds as potential MAO-A inhibitors – design, synthesis, biological evaluation and molecular modelling" @default.
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- W3076299437 doi "https://doi.org/10.1039/d0md00150c" @default.
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