Structural insights into cholinesterases inhibition by harmane β-carbolinium derivatives: A kinetics - molecular modeling approach

► The inhibition kinetics of cholinesterases by β-carbolinium salts were determined. ► A molecular modeling study of its enzyme-ligand interactions was carried out. ► The positive charge does not mimic the natural substrate. ► Selectivity was observed between enzymes of up to 20 times for the salts.