Molecular docking and optical sensor studies based on 2,4-diamino pyrimidine-5-carbonitriles for detection of Hg2+

Ziarani, Ghodsi Mohammadi; Roshankar, Shima; Mohajer, Fatemeh; Baddiei, Alireza; Karimi-Maleh, Hassan; Gaikwad, Sunil

doi:10.1016/j.envres.2022.113245

Cited by 10 publications

(3 citation statements)

References 46 publications

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“…The docking analysis was carried out by Auto-dock software and the 2D results are visualized with discovery studio visualizer [26]. Based on the in vitro antifungal results of synthesized compounds, herein we have done the molecular docking against the PDB : 6UW2 the complex of Acanthamoeba castellani CYP51 with ligand the clotrimazole bound [27] and PDB : 3KHM protein having alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with inhibitor fluconazole [28].…”

Section: Molecular Dockingmentioning

confidence: 99%

“…1. Considering the biological potential of dihydroimidazopyrazole derivatives, and as a part of our research into the design and synthesis of new heterocyclic compounds [24][25][26][27]. In present research work we have synthesized a new series of 2-isonicotinoyl-4,6-dihydroimidazo [4,5-c] pyrazol-5(2H)-one derivatives through single pot multi-component pathway.…”

Section: Introductionmentioning

confidence: 99%

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Green Synthesis of 2-isonicotinoyl-4,6-dihydroimidazo[4,5-c] Pyrazol-5 (2H)-one Derivatives via One-pot Multicomponent Approach as a Potent Antifungal Agent

Mogle,

Gaikwad,

Pohare

et al. 2024

Period. Polytech. Chem. Eng.

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In the present research work, we made an effort to a green, efficient, and simple procedure for the one-pot multicomponent synthesis of novel 2-isonicotinoyl-4,6-dihydroimidazo[4,5-c] pyrazole-5 (2H)-one derivative in presence of environmentally sustainable PEG-400 reaction medium and recyclable catalyst bleaching earth clay (pH 12.5, 10% by weight). The benefits of this methodology include a quick reaction time, high product yield, and an easy work-up procedure. The antifungal potency was studied for synthesized derivatives using the agar well diffusion method against Aspergillus niger (MTCC280), Aspergillus flavus (MTCC3008), and Penicillium citrinum fungus strain. Among the tested compounds six from the nine compounds show promising antifungal activity among the tested compounds. The derivatives were characterized using 1H NMR, 13C NMR, Mass, and IR spectroscopic methods. Molecular docking study 2-isonicotinoyl-4,6-dihydroimidazo[4,5-c] pyrazole-5 (2H)-one derivative was conducted against the PDB : 3KHM, 14 α-demethylase (CYP51) from Trypanosoma cruzi in complex with inhibitor fluconazole protein and PDB : 6UW2 clotrimazole bound complex of Acanthamoeba castellanii CYP51.

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Section: Molecular Dockingmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Green Synthesis of 2-isonicotinoyl-4,6-dihydroimidazo[4,5-c] Pyrazol-5 (2H)-one Derivatives via One-pot Multicomponent Approach as a Potent Antifungal Agent

Mogle,

Gaikwad,

Pohare

et al. 2024

Period. Polytech. Chem. Eng.

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“…同时, 由于 DAA 的存在, 探针 12 表现出低细胞毒性, 可用于检测活细胞中的 Hg 2 ＋ . 不仅如此, 嘧啶 [84] 、巴比妥酸 [85] 、萘并喹啉 [86] 等含有 N 原子的结构, 也常被用于构建 Hg 2 ＋探针 [87] . 例如, Paul 课题组 [88] 通过两个由间苯二甲胺基桥接 7-硝基苯并噁二唑单元, 构建了探针 13.…”

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Research Progress in Mercury Ion Fluorescence Probes Based on Organic Small Molecules

Li,

Chen,

Chen

et al. 2023

Chinese Journal of Organic Chemistry

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Mercury has strong biological toxicity and poses great harm to human health and the environment. Fluorescent probes have been widely applied in the detection of mercury ion in recent years, due to these probes with high sensitivity, high selectivity, and real-time monitoring. Owing to the advantages of small molecules such as structural diversity, good repeatability, easy modification, and clear sensing mechanisms, many organic small molecular fluorescence probes for detecting mercury ion have also been developed. According to the different reaction mechanisms between probes and mercury ion, these organic small molecular fluorescence probes can be classified into two categories based on coordination type reactions and bond breaking type reactions. The research progress of organic small molecular fluorescence probes used to detect mercury ion in the past five years is summarized in detail. This provides a reference for their further development in the future, especially for the new turn-on type reactive organic small molecular fluorescence probes for detecting mercury ion by utilizing the characteristic reactions. Keywords mercury ion detection; fluorescent probes; organic small molecules; reaction mechanism; molecular design and synthesis 汞是一种剧毒的不可降解的金属污染物 [1] , 一旦进入生物体, 就会在生物体内累积, 影响蛋白质和酶的正常功能, 进而导致各种急性中毒事件 [2] . 因此, 建立一种灵敏、选择性检测汞离子的有效分析方法, 对汞离子的监测、临床诊断及治疗具有重要意义 [3] . 与用来检测汞离子的传统分析方法, 如伏安法、原子吸收光谱法、 X 射线吸收光谱法、分光光度法等相比, 荧光探针具有高选择性、响应速度快和可实时监测等优点 [4] . 这使得汞离子荧光探针引起了研究人员极大的关注, 并得到了高速发展 [5][6][7] .

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Green synthesis and application of spiro[indoline-3,4′-pyrano[2,3-c]pyrazoles] as selective Hg (II) fluorescence sensor

2023

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Molecular docking and optical sensor studies based on 2,4-diamino pyrimidine-5-carbonitriles for detection of Hg2+

Cited by 10 publications

References 46 publications

Green Synthesis of 2-isonicotinoyl-4,6-dihydroimidazo[4,5-c] Pyrazol-5 (2H)-one Derivatives via One-pot Multicomponent Approach as a Potent Antifungal Agent

Green Synthesis of 2-isonicotinoyl-4,6-dihydroimidazo[4,5-c] Pyrazol-5 (2H)-one Derivatives via One-pot Multicomponent Approach as a Potent Antifungal Agent

Research Progress in Mercury Ion Fluorescence Probes Based on Organic Small Molecules

Green synthesis and application of spiro[indoline-3,4′-pyrano[2,3-c]pyrazoles] as selective Hg (II) fluorescence sensor

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