Hybrids of methylxanthines or azoderivatives as acetylcholinesterase inhibitors: preliminary structure-activity relationship analysis

BISCUSSI, BRUNELLA; GUNDIN, SANTIAGO; DONOZO, MARTINA; MURRAY, ANA PAULA

Conferencia; 28th International Electronic Conference on Synthetic Organic Chemistry; 2024

Sciforum, congreso electrónico

In this work, we synthesized methylxanthine and azobenzene derivatives, linked to sec-ondary amines via a seven-carbon chain, to evaluate their acetylcholinesterase (AChE) inhibitory activity. Among the azobenzene compounds, 3a exhibited the highest activity with an IC50 of 1.1 μM. Meanwhile, the theobromine derivative 2a, was the most potent inhibitor among the methylxanthines, with an IC50 of 0.19 μM. These results highlight the importance of structure-activ-ity relationship analysis to optimize AChE inhibition by modifying pharmacophore fragments and secondary amines.