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Effect of adsorbed water molecules on reaction profile of CO oxidation catalyzed by Au5 nanoclusters 吸附水分子对 Au5 纳米团簇催化 CO 氧化反应曲线的影响
4区 化学 Pub Date : 2024-01-24 DOI: 10.56042/ijc.v63i1.2369
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引用次数: 0
Virtual screening and molecular docking study of some naturally available phytochemicals against SARS-CoV-2 一些天然植物化学物质抗 SARS-CoV-2 的虚拟筛选和分子对接研究
4区 化学 Pub Date : 2023-12-19 DOI: 10.56042/ijc.v62i12.5525
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引用次数: 0
Non-Linear Optical and Charge Transport Properties of Oxa[n]circulenes: A Theoretical Insight 氧杂[n]环烯的非线性光学和电荷传输特性:理论见解
4区 化学 Pub Date : 2023-12-19 DOI: 10.56042/ijc.v62i12.2456
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引用次数: 0
Kinetics and Mechanistic Investigation of Persulfate Anion-Mediated Oxidation of Hexacyanoruthenate(II) in Aqueous Medium 水介质中过硫酸根阴离子介导的六氰合钌(II)氧化动力学和机理研究
4区 化学 Pub Date : 2023-12-19 DOI: 10.56042/ijc.v62i12.5814
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引用次数: 0
Synthesis and Fluorescent Properties of Some Benzothiazole Derivatives Synthesized via Suzuki Cross Coupling Reaction 通过铃木交叉偶联反应合成的一些苯并噻唑衍生物的合成及其荧光特性
4区 化学 Pub Date : 2023-12-19 DOI: 10.56042/ijc.v62i12.5794
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引用次数: 0
Synthesis, molecular docking, molinspiration and anti oxidant studies of novel n-ethylbenzimidazolyl isoxazole derivatives 新型 n-乙基苯并咪唑基异噁唑衍生物的合成、分子对接、molinpiration 和抗氧化研究
4区 化学 Pub Date : 2023-12-19 DOI: 10.56042/ijc.v62i12.4752
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引用次数: 0
Role of Surfactants on Fe(II) catalyzed L-Tryptophan Oxidation by Persulfate 表面活性剂在过硫酸盐催化 L-色氨酸氧化过程中的作用
4区 化学 Pub Date : 2023-12-19 DOI: 10.56042/ijc.v62i12.5608
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引用次数: 0
Electrocatalytic activity of Ni/Co3O4 obtained by span-60 sol-gel route for oxygen evolution in 1M KOH at 25℃ 采用 span-60 溶胶-凝胶路线获得的 Ni/Co3O4 在 25℃ 的 1M KOH 中进行氧演化的电催化活性
4区 化学 Pub Date : 2023-12-19 DOI: 10.56042/ijc.v62i12.5901
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引用次数: 0
Synthesis of Novel Anticancer Coumarin-Triazole-Chalcone Hybrids as Potential AKT Inhibitor 作为潜在 AKT 抑制剂的新型抗癌香豆素-三唑-珊瑚酮杂交化合物的合成
4区 化学 Pub Date : 2023-11-17 DOI: 10.56042/ijc.v62i11.2610
E. Mallikarjun, D. Suneesha, Niranjana Kumar, Akanksha Singh, Hashnu Dutta, Kotesh Kumar, V. N. Satya, A. Meena, B. Venkatesh, N. Jain, Sravanthi, T. Radhika
This research article presents the synthesis of a novel series of hybrid analogues of Coumarin-Triazole-Chalcone, which are potential bioactives with a novel mode of action for anticancer therapy. The compounds have been synthesized via aldol condensation and 1,3-dipolar cycloaddition, resulting in the generation of hybrid heterocyclic systems that combine two or more pharmacophores. The synthesized compounds have then been screened for anticancer activity against various human cancer cell lines, including A549 (lung cancer), HeLa (Cervix carcinoma), PANC1 (pancreatic cancer), HT1080 (Fibrosarcoma) and HEK293 (Human embryonic kidney cells), in vitro . One of the compounds, para -nitrile chalcone 9a , demonstrates significant IC 50 values in the range of 3.1 to 7.02 µg/mL when compared to the others. All the compounds 9a - d have shown higher IC 50 values towards HEK-293 cells indicating their non-toxic nature towards normal cells. Furthermore, in silico approaches have been employed to assess the efficacy of compounds that are active in the MTT assay against molecular targets. The authors conducted docking studies of the proteins PI3K and AKT, which are common target biomarkers in Pancreatic cancer, Lung cancer, Cervical cancer, and Fibrosarcoma, with compound 9a and some known inhibitors. The results show that compound 9a has a good binding affinity with AKT (–10.6) and PI3K (–10.3). However, it is found to be more specific for AKT as its binding site amino acid interactions are similar to those of known AKT inhibitors. These findings provide evidence that hybrid heterocyclic systems may be useful for developing potential bioactives with a novel mode of action for anticancer therapy.
这篇研究文章介绍了一系列新型香豆素-三唑-查耳酮杂环类似物的合成,它们是具有新型抗癌作用模式的潜在生物活性物质。这些化合物是通过醛醇缩合和 1,3-二极环加成法合成的,从而产生了结合两种或两种以上药性的杂环系统。合成的化合物在体外对多种人类癌细胞系进行了抗癌活性筛选,包括 A549(肺癌)、HeLa(宫颈癌)、PANC1(胰腺癌)、HT1080(纤维肉瘤)和 HEK293(人类胚胎肾细胞)。与其他化合物相比,其中一种化合物对位腈查尔酮 9a 显示出显著的 IC 50 值,范围在 3.1 至 7.02 µg/mL 之间。所有化合物 9a - d 对 HEK-293 细胞都显示出较高的 IC 50 值,表明它们对正常细胞无毒。此外,作者还采用了硅学方法来评估在 MTT 试验中对分子靶标有活性的化合物的功效。作者将胰腺癌、肺癌、宫颈癌和纤维肉瘤的常见靶标生物标志物 PI3K 和 AKT 蛋白与化合物 9a 和一些已知抑制剂进行了对接研究。结果表明,化合物 9a 与 AKT(-10.6)和 PI3K(-10.3)具有良好的结合亲和力。然而,由于其结合位点氨基酸相互作用与已知的 AKT 抑制剂相似,因此发现它对 AKT 的特异性更强。这些发现证明,杂环混合系统可能有助于开发具有新作用模式的潜在生物活性物质,用于抗癌治疗。
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引用次数: 0
The “Design, synthesis, characterization and biological evaluation of some Azetidinone derivatives containing pyrimidine moiety.” 一些含嘧啶分子的氮杂环丁酮衍生物的设计、合成、表征和生物学评价"。
4区 化学 Pub Date : 2023-11-17 DOI: 10.56042/ijc.v62i11.4825
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引用次数: 0
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INDIAN JOURNAL OF CHEMISTRY
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