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  3. Identification of novel benzothiazole-thiadiazole-based thiazolidinone derivative: in vitro and in silico approaches to develop promising anti-Alzheimer's agents

Identification of novel benzothiazole-thiadiazole-based thiazolidinone derivative: in vitro and in silico approaches to develop promising anti-Alzheimer's agents

  • Future Med Chem. 2024 Jun 28:1-13. doi: 10.1080/17568919.2024.2366159.
Shoaib Khan 1,  Rafaqat Hussain 2,  Tayyiaba Iqbal 1,  Yousaf Khan 3,  Urooj Jamal 1,  Hany W Darwish 4,  Muhammad Adnan 5
Affiliations

Affiliations

  • 1 Department of Chemistry, Abbottabad University of Science & Technology (AUST), Abbottabad 22500, Pakistan.
  • 2 College of Biology Hunan University, Changsha, Hunan 410082, P. R. China.
  • 3 Department of Chemistry, COMSATS University Islamabad Campus, Islamabad 45550, Pakistan.
  • 4 Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia.
  • 5 Graduate School of Energy Science & Technology, Chungnam National University, Daejeon 34134, Republic of Korea.
PMID: 38940467 DOI: 10.1080/17568919.2024.2366159
Abstract

Aim: The present study describes benzothiazole derived thiazolidinone based thiadiazole derivatives (1-16) as anti-Alzheimer agents. Materials & methods: Synthesis of benzothiazole derived thiazolidinone based thiadiazole derivatives was achieved using the benzothiazole bearing 2-amine moiety. These synthesized compounds were confirmed via spectroscopic techniques (1H NMR, 13C NMR and HREI-MS). These compounds were biologically evaluated for their anti-Alzheimer potential. Binding interactions with proteins and drug likeness of the analogs were explored through molecular docking and ADMET analysis, respectively. In the novel series, compound-3 emerged as the most potent inhibitor when compared with other derivatives of the series. Conclusion: The present study provides potent anti-Alzheimer's agents that can be further optimized to discover novel anti-Alzheimer's drugs.

Keywords

SAR; acetylcholinesterase; benzothiazole; butyrylcholinesterase; molecular docking; thiadiazole; thiazolidinone.

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