Synthesis, biological activities and computational studies of bis-Schiff base derivatives of 4-hydroxyacetophenone: insights from an <i>in vitro</i>, molecular docking and dynamics simulation approach.

ABSTRACT: This study is based on the synthesis and acetyl and butyryl cholinesterase inhibitory activities of some bis-Schiff base derivatives of 4-hydroxyacetophenone. All the synthesized products (2a-j) were structurally analysed by means of modern spectroscopic methods, including ¹H- and ¹³C-NMR and EI-MS, and finally tested for their ability to inhibit cholinesterase enzymes. In the series, six compounds-2j (IC₅₀ = 15.86 ± 0.38 and 29.23 ± 0.04 μM), 2b (IC₅₀ = 18.58 ± 0.21 and 35.31 ± 0.01 μM), 2a (IC₅₀ = 44.36 ± 0.33 and 77.93 ± 1.46 μM), 2f (IC₅₀ = 48.37 ± 0.06 and 76.35 ± 1.17 μM), 2g (IC₅₀ = 62.28 ± 0.42 and 98.71 ± 1.18 μM), and 2e (IC₅₀ = 98.21 ± 0.01 and 135.7 ± 2.61 μM)-were found to be the most promi

SUBMITTER: Badshah G 

PROVIDER: S-EPMC12188521 | biostudies-literature | 2025 Jun

REPOSITORIES: biostudies-literature