研究动态
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基于简单的二氢吡啶基的比色化学传感器,用于重金属离子检测,生物评价,分子对接和ADMET特征分析。

Simple dihydropyridine-based colorimetric chemosensors for heavy metal ion detection, biological evaluation, molecular docking, and ADMET profiling.

发表日期:2023 Sep 18
作者: Wafaa M Hamada, Marwa N El-Nahass, Ahmed A Noser, Tarek A Fayed, Maged El-Kemary, Maha M Salem, Eman A Bakr
来源: ANTIOXIDANTS & REDOX SIGNALING

摘要:

本研究合成并表征了两种含有二氢缩吡啶基团的新型化学传感器,即(2E, 2E')-1,1'-(2,6-二甲基-1,4-二氢缩吡啶-3,5-二基)双(3-(4-(二甲基氨基)苯基)丙-2-烯-1-酮) (1) 和 (2E,2E',4E,4E')-1,1'-(2,6-二甲基-1,4-二氢缩吡啶-3,5-二基)双(5-(4-(二甲基氨基)苯基)戊-2,4-二酮) (2)。考察了它们在各种极性溶剂中的溶剂色致变化行为。通过视觉检测、UV-Vis和荧光测量,研究了所研究化学传感器对Al3+、Cr3+、Mn2+、Fe3+、Co2+、Ni2+、Cu2+、Mg2+、Hg2+和Zn2+等金属离子的比色和光学传感性能。化学传感器1和2具有很强的检测能力,对Cu2+和Fe3+具有优异的敏感性和选择性,而对其他金属离子具有较低的响应。当加入EDTA与形成的络合物反应时,化学传感器完全可逆,并显示出螯合猝灭荧光的开-关-开式响应。研究了所研究化学传感器的抗氧化活性,并进行了体外评估以验证其在抑制Akt信号通路中的作用,该通路与癌细胞增殖有关,解释了其药代动力学特性。此外,对所研究化学传感器进行了体外抗肿瘤评估,评估了它们对一系列癌细胞系的抑制效果。总而言之,由于潜在的Akt蛋白抑制作用,化学传感器1比化学传感器2在清除自由基和作为抗癌药物方面更具有效性,并可作为癌症治疗的治疗候选药物。© 2023. Springer Nature Limited.
In this study, two novel chemosensors containing dihydropyridine fragment namely; (2E, 2E')-1,1'-(2,6-dimethyl-1,4-dihydropyridine-3,5-diyl)bis(3-(4-(dimethylamino)phenyl)prop-2-en-1-one) (1), (2E,2E',4E,4E')-1,1' -(2,6-dimethyl-1,4-dihydropyridine-3,5-diyl)bis(5-(4-(dimethylamino)phenyl)penta-2,4-dien-1-one) (2) have been synthesized and characterized. The solvatochromic behavior was explored in different solvents of various polarities. The visual detection, as well as UV-Vis and fluorescence measurements were carried out to explore the colorimetric and optical sensing properties of the investigated chemosensors towards various metal ions such as Al3+, Cr3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Mg2+, Hg2+ and Zn2+. The chemosensors 1 and 2 have strong detecting abilities, with excellent sensitivity and selectivity for Cu2+ and Fe3+, respectively, over the other metal ions. The chemosensors were totally reversible upon addition of EDTA to the formed complexes and displayed a turn on-off-on fluorescence response based on an effect of chelation-quenching fluorescence. The antioxidant activities of the investigated chemosensors were assessed. They were examined in-silico for their capacity to block the Akt signaling pathway, which is involved in cancer proliferation with interpreting their pharmacokinetics aspects. Furthermore, in-vitro antitumor evaluation against a panel of cancer cell lines for the investigated chemosensors has been examined. Conclusively, chemosensor 1 was more effective at scavenging free radicals and as an anticancer agent and could be exploited as a therapeutic candidate for cancer therapy than chemosensor 2 due to its potential inhibition of Akt protein.© 2023. Springer Nature Limited.