Unveiling of the novel benzothiazole derived thiazolidinone derivatives: in vitro and in silico insights to design a promising agent for anti-Alzheimer's disease

Abstract

The present investigation explained various heterocyclic moieties particularly the thiazolidinone scaffold (1-16) which were synthesized from benzothiazole as promising anti-Alzheimer agent. In this, we have unveiled the synthetic path for generation of thiazolidinone scaffolds which was initiated benzothiazole having 2-amine moiety. These synthesized scaffolds were then inveterate through several analytical techniques including high-resolution electron impact mass spectrometry (HREI-MS), proton nuclear magnetic resonance (¹H NMR), and carbon-13 nuclear magnetic resonance (¹³C NMR). The anti-Alzheimer potential of these compounds was evaluated through molecular docking studies to examine their interactions with target proteins. Additionally, ADMET analysis was performed to assess drug-likeness and pharmacokinetic properties. Among the synthesized analogs, scaffold-3 emerged as the most promising inhibitor compared to other derivatives in the series. This study highlights the potential of thiazolidinone derivatives in the development of novel anti-Alzheimer drugs and underscores the need for further optimization to enhance their therapeutic efficacy.

Keywords: SAR; acetylcholinesterase; benzothiazole; butyrylcholinesterase; molecular docking; synthesis of thiazolidinone.