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

被引:0
|
作者
Khan, Shoaib [1 ]
Hussain, Rafaqat [2 ]
Iqbal, Tayyiaba [1 ]
Khan, Yousaf [3 ]
Jamal, Urooj [1 ]
Darwish, Hany W. [4 ]
Adnan, Muhammad [5 ]
机构
[1] Abbottabad Univ Sci & Technol AUST, Dept Chem, Abbottabad 22500, Pakistan
[2] Hunan Univ, Coll Biol, Changsha 410082, Hunan, Peoples R China
[3] COMSATS Univ, Dept Chem, Islamabad Campus, Islamabad 45550, Pakistan
[4] King Saud Univ, Coll Pharm, Dept Pharmaceut Chem, POB 2457, Riyadh 11451, Saudi Arabia
[5] Chungnam Natl Univ, Grad Sch Energy Sci & Technol, Daejeon 34134, South Korea
关键词
acetylcholinesterase; benzothiazole; butyrylcholinesterase; molecular docking; SAR; thiadiazole; thiazolidinone; DISEASE; ACETYLCHOLINESTERASE; BUTYRYLCHOLINESTERASE;
D O I
10.1080/17568919.2024.2366159
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
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 (H-1 NMR, C-13 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.
引用
收藏
页码:1601 / 1613
页数:13
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