Synthesis, in vitro acetylcholinesterase, butyrylcholinesterase activities and molecular docking study of 1,3-oxathiol-2-imine derivatives

被引：1

作者：

Ullah, Hayat ^{[1
]}

Nabi, Muhammad ^{[2
]}

Sarfraz, Maliha ^{[3
]}

Khan, Fahad ^{[4
]}

Khan, Muhammad Saleem ^{[5
]}

Khan, Rabia ^{[4
]}

Khan, Mehboob ^{[4
]}

Perviaz, Muhammed ^{[6
]}

Rahim, Fazal ^{[4
]}

机构：

[1] Univ Okara, Dept Chem, Okara 56130, Pakistan

[2] Khyber Med Univ, Inst Pharmaceut Sci, Peshawar 25000, Pakistan

[3] Univ Agr Faisalabad, Dept Zool Wildlife & Fisheries, Subcampus Toba Tek Singh, Faisalabad 36080, Pakistan

[4] Hazara Univ, Dept Chem, Mansehra 21300, Khyber Pakhtunk, Pakistan

[5] Univ Okara, Fac Life Sci, Dept Zool, Okara 56130, Pakistan

[6] Univ Cent Punjab, Fac Sci & Technol, Dept Basic & Appl Chem, Lahore, Pakistan

来源：

CHEMICAL DATA COLLECTIONS | 2024年 / 50卷

关键词：

Synthesis; 3-oxathiol-2-imine; Acetylcholinesterase; Butyrylcholinesterase; Molecular docking study; ALPHA-GLUCOSIDASE SYNTHESIS; POTENTIAL INHIBITORS; BIOLOGICAL EVALUATION; BETA-GLUCURONIDASE; ANALOGS; DEMENTIA; DISEASE; SEARCH; SILICO;

D O I：

10.1016/j.cdc.2024.101120

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We have synthesized eleven derivatives of 1,3-oxathio-2-imine, characterized through NMR, HREI-MS and evaluated against acetylcholinesterase and butyrylcholinesterase enzymes. All synthesized derivative showed good inhibitory potential, having IC50 value ranged from 1.10 f 0.05 to 23.20 f 0.40 mu M (AChE) and 2.30 f 0.10 to 32.00 f 0.80 mu M (BuChE) as compare to standard drug Donepzil (IC50 = 2.16 f 0.12 & 4.5 f 0.11 mu M, respectively). In both case, derivative 7 (IC50 = 1.10 f 0.05 mu M & 2.30 f 0.10 mu M, respectively) was found the most potent among the series. Structure activity relationship was carried out which mainly depend upon the nature, position, number and electron donating/withdrawing effect of the substituent/s on phenyl ring. Molecular docking was carried out to determine the binding attraction of the most potent derivatives with the active site of enzymes.

引用

页数：10

共 35 条

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