Unveiling of the novel benzothiazole derived thiazolidinone derivatives: in vitro and in silico insights to design a promising agent for anti-Alzheimer’s disease
Yousaf Khan, Anila Mukhtiar, Hina Sarfraz, Shoaib Khan, Rafaqat Hussain, Muhammad Naeem, Abdul Sattar, Tariq Aziz, Zia Ur Rehman Panezai, Thamer H. Albekairi, Farwa Jabbir
Abstract
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 ( 1 H NMR), and carbon-13 nuclear magnetic resonance ( 13 C 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.