Esterified Indole-3-propionic Acid: A Novel Inhibitor against Cholinesterase Identified through Experimental and Computational Approaches.

ABSTRACT: Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are targeted for designing drugs against cognitive dysfunction. Curcumin (CUR) and indole-3-propionic acid (IPA) are known for their neuroprotective activity. The clinical application of CUR is hindered due to poor absorption and bioavailability. Hence, CUR was conjugated with IPA to form the CUR-IPA diester. CUR-IPA inhibition against electric eel AChE (eAChE), human AChE (hAChE), and hBChE was carried out. In silico and molecular dynamics (MD) analyses of the interaction of CUR-IPA with hAChE and hBChE were done. UV-visible spectroscopy (λ_max at 415 and 276 nm), NMR spectrum, and ESI/MS/MS [m/z = 711 (M + H)] confirmed CUR-IPA formation. CUR-IPA showed in vitro antioxidant activity. The IC₅₀

SUBMITTER: Sidhambaram J 

PROVIDER: S-EPMC11904713 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature