Synthesis, in vitro acetylcholinesterase, butyrylcholinesterase activities and in silico molecular docking study of thiazole-thiourea hybrid derivatives

被引：4
|
作者：
Ullah, Hayat [1 ]
Rahim, Fazal [2 ]
Taha, Muhammad [3 ]
Khan, Fahad [2 ]
Mehran [2 ]
Alotaibi, Bader S. [4 ]
Zulfat, Maryam [5 ]
Wadood, Abdul [5 ]
机构：
[1] Univ Okara, Dept Chem, Okara 56130, Pakistan
[2] Hazara Univ, Dept Chem, Mansehra 21300, Khyber Pakhtunk, Pakistan
[3] Imam Abdulrahman Bin Faisal Univ, Inst Res & Med Consultat IRMC, Dept Clin Pharm, POB 1982, Dammam 31441, Saudi Arabia
[4] Shaqra Univ, Coll Appl Med Sci, Dept Clin Lab Sci, Riyadh, Saudi Arabia
[5] Abdul Wali Khan Univ Mardan, Dept Biochem, Mardan 23200, Pakistan
来源：
CHEMICAL DATA COLLECTIONS | 2023年 / 45卷
关键词：
Synthesis; Thiazole; Thiourea; Acetylcholinesterase; Butyrylcholinesterase; Molecular Docking; ALPHA-GLUCOSIDASE SYNTHESIS; ALZHEIMERS-DISEASE; CYTOTOXICITY EVALUATION; POTENTIAL INHIBITORS; BETA-GLUCURONIDASE; ANALOGS; ACYLTHIOUREA; MANAGEMENT; PYRIDINE; DESIGN;
D O I：
10.1016/j.cdc.2023.101025
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
We have synthesized twelve thiazole-thiourea hybrid derivatives ( 1-12 ) and evaluated against acetylcholinesterase and butyrylcholinesterase enzymes. All analogues showed outstanding activities having IC 50 values ranged from 0.30 +/- 0.05 to 15.40 +/- 0.30 mu M (AChE) and 0.40 +/- 0.05 to 22.70 +/- 0.40 mu M (BuChE) as compared to standard drug Donepezil (IC 50 1 / 4 2.16 +/- 0.12 & 4.5 +/- 0.11 mu M respectively). In both cases , analogues 11 (IC 50 = 0.30 +/- 0.05 & 0.40 +/- 0.05 mu M) and analogue 12 (IC 50 = 0.80 +/- 0.05 & 1.10 +/- 0.05 mu M) withstand first and second most potent among the whole series. Structure activity relationship was carried out for all analogues which mainly depend upon number, nature, position and electron donating/withdrawing effects of the substituent/s on phenyl ring. Molecular docking study was carried out to show the binding interaction of the most potent analogue with the active site of enzyme.
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页数：10
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