化学
丁酰胆碱酯酶
查尔酮
乙酰胆碱酯酶
立体化学
伊萨丁
奥西多尔
对接(动物)
胆碱酯酶
IC50型
酶
阿切
有机化学
生物化学
药理学
体外
医学
护理部
催化作用
作者
Muhammad Taha,Haleema Sadia,Fazal Rahim,Mohammad Imran Khan,Shawkat Hayat,Naveed Iqbal,Faisal Nawaz,Hayat Ullah,Hussan Zada,Syed Adnan Alı Shah,Abdul Wadood,Rai Khalid Farooq,Khalid Mohammed Khan
标识
DOI:10.1016/j.molstruc.2023.135530
摘要
With the goal of developing potential cholinesterase pharmaco-therapeutics, a new class of thirty analogs oxindole-based chalcone were synthesized by reacting nitro substituted oxindole with various substituted benzaldehyde in the presence of a base in ethanol under reflux conditions. All the synthesized analogs were characterized through different spectroscopic and spectrometric techniques such as 1H NMR, 13C NMR, HREI-MS and tested for their ability to inhibit acetylcholinesterase and butyrylcholinesterase that exhibited a variable degree of inhibitory potential with IC50 values ranging from 0.20 ± 0.010 to 11.20 ± 0.30 µM for acetylcholinesterase and 0.30 ± 0.010 μM to 13.20 ± 0.30 µM for butyrylcholinesterase as compared to the standard drug donepezil (IC50 value 2.16 ± 0.12 and 4.5 ± 0.11 µM respectively). Analog 22 is the most potent among the series having an IC50 value 0.10 ± 0.010 µM for acetylcholinesterase and 0.30 ± 0.010 µM for butyrylcholinesterase. Structure-activity relationship of this series has been established which is mainly based on the position and nature of the substituent on the phenyl ring. Molecular docking study was also carried out to discover the binding affinity of active derivatives with enzymes.
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