The AQ series also displayed relatively lower cellular toxicity upon photoactivation. Moreover, in the brains of mice, Aβ species generated by Alo with light exposure exhibited minimum aggregation into amyloid assemblies such as oligomers or fibrils known to be linked to the pathology of AD. Overall, our combined experimental and computational studies illuminate that the mechanism-based tuning of the intramolecular hydrogen bonds in photosensitizers exhibiting ESIHT leads to prolific outcomes in controlling pathological factors in AD and can contribute towards rationally designing effective chemical reagents for gaining a better understanding of the pathology of the disease.