The pursuit of biologically active compounds has led many researchers to synthesize different heterocyclic hybrids with prominent activity. Both coumarin and 1,2,4-triazole are very potent scaffolds whose hybrids have improved biological activities.
This study synthesized twenty-one new coumarin-1,2,4-triazole hybrids in a one-step reaction using choline chloride : urea deep eutectic solvent. The green approach to this synthesis has led to shorter reaction times, higher yields, and purity of final compounds.
The title compounds were characterized and screened for drug-likeness parameters to evaluate their viability as potential drug candidates and for their in vitro acetylcholinesterase inhibitory activity. All tested compounds complied with the drug-likeness rules. However, they exhibited only weak to moderate inhibitory activity against acetylcholinesterase.
Molecular docking analysis revealed that title compounds mostly bind to the peripheral anionic region of the acetylcholinesterase active site, therefore hindering, but not completely obstructing, substrate from entering the enzyme catalytic site.
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