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INDIAN JOURNAL OF CHEMISTRY最新文献

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Synthesis and antituberculosis action of symmetric acridin-9-yl-bis-benzothiazol-2-yl-amines 对称吖啶酮-9-基-双苯并噻唑-2-基胺的合成及抗结核作用
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-07-20 DOI: 10.56042/ijc.v62i7.430
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引用次数: 0
Synthesis of novel glycosyl thiadiazole triazines and screening for antimicrobial activity 新型糖基噻二唑三嗪的合成及抗菌活性筛选
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-07-20 DOI: 10.56042/ijc.v62i7.3734
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引用次数: 0
Synthesis, quantum chemical computation, molecular docking analysis and biological activity of chlorophenylthiazolylnaphthylmethanone as dendrodoine analogs 作为石斛碱类似物的氯苯基噻唑基萘甲烷的合成、量子化学计算、分子对接分析及生物活性研究
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-07-20 DOI: 10.56042/ijc.v62i7.3728
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引用次数: 0
Volumetric and acoustic studies of binary liquid mixtures of propylene glycol monopropyl ether + n-alkylamine at 288.15, 298.15 and 308.15 K 丙二醇单丙醚+正烷基胺二元液体混合物在288.15298.15308.15K下的体积和声学研究
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-07-20 DOI: 10.56042/ijc.v62i7.3733
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引用次数: 0
Thiophene functionalized naphthalene diimide for the sensitive detection of nitroaromatics 噻吩官能化萘二亚胺对硝基芳烃的灵敏检测
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-07-20 DOI: 10.56042/ijc.v62i7.999
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引用次数: 0
Synthesis of cholest-5-en-3-ol(3β)-3-[4-(2,2,2-trifluoroacetamido) benzoate] (ChTfAB) a thermotropic liquid crystalline material 热致液晶材料胆甾-5-烯-3-醇(3β)-3-[4-(2,2,2-三氟乙酰胺)苯甲酸酯](ChTfAB)的合成
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-07-20 DOI: 10.56042/ijc.v62i7.3736
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引用次数: 0
Design and application of a new julolidine-based photolabile protecting group 新型juloliddine基光不稳定性保护基团的设计与应用
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-06-19 DOI: 10.56042/ijc.v62i6.2570
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引用次数: 0
An in silico design of antivirus nickel (II) complexes as therapeutic drug candidates 抗病毒镍(II)配合物作为候选治疗药物的计算机设计
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-06-19 DOI: 10.56042/ijc.v62i6.2522
S. Sushanth Kumar, M. Choudhary
A series of novel nickel (II) complexes [Ni(L1)](1), [Ni(L2)](2), [Ni(L3)](3) and [Ni(L4)](4) of salen-type Schiff base ligands (LH2-LH2), have been designed and synthesized, and their interaction with SARS-CoV-2 for COVID-19 and HIV virus were studied by molecular docking methods for possible therapeutic drug candidates as anti-COVID-19 and anti-HIV agents. The salen-type Schiff base ligands were condensation products of ethylene diamine with related aldehydes (3,5-Dichlorosalicylaldehyde, 5-Bromo-3-methoxy-2-hydroxy-benzaldehyde, 3,5-Diiodosalicylaldehyde, 3,5-Dinitrosalicylaldehyde). They were coordinated to metal ions through the tetradentate-N2O2 donor atoms. The newly synthesized complexes were fully characterized by different spectroscopic and physicochemical methods. The molecular and electronic structures of the complexes are studied by DFT based quantum chemical calculations. Additionally, inspired from recent developments to find inhibitors of the SARS-CoV-2 main protease, molecular docking studies are performed on the complexes to predict the binding mode and interactions between the ligands and the main protease of the SARS-CoV-2 (PDB ID: 7O46) for COVID-19. Also the binding potential of the nickel(II) complexes with HIV virus (PDB ID: 1UUI) are studied using in-silico molecular docking approach. The X-ray crystallographic structure of the main protease of the SARS-CoV-2 and HIV virus are retrieved from the protein data bank and used as receptor proteins. The molecular docking calculations of the nickel (II) complexes (1)-(4) with SARS-CoV-2 (PDB ID: 7O46) virus revealed the higher binding energy (-9.6 to -6.9 kcal/mol) than that of HIV virus (-9.3 to -6.7 kcal/mol) as well as docking results of chloroquine (-6.293 kcal/mol), hydroxychloroquine (-5.573 kcal/mol) and remdesivir (-6.352 kcal/mol) as anti-SARS-CoV-2 drugs. Overall, in-silico molecular docking study offers the potential role of the nickel (II) complexes as anti-COVID-19 and anti-HIV agents.
设计并合成了salen型希夫碱配体(LH2-LH2)的一系列新型镍(II)配合物[Ni(L1)](1)、[Ni(L2)](2)、[Ni(L3)](3)和[Ni(L4)](4),并通过分子对接方法研究了它们与SARS-CoV-2对COVID-19和HIV病毒的相互作用,作为抗COVID-19和抗HIV药物的潜在候选治疗药物。saln型席夫碱配体是乙二胺与相关醛(3,5-二氯水杨醛、5-溴-3-甲氧基-2-羟基苯甲醛、3,5-二碘水杨醛、3,5-二硝基水杨醛)的缩合产物。它们通过四齿n2o2供体原子与金属离子配位。用不同的光谱和物理化学方法对新合成的配合物进行了表征。利用基于DFT的量子化学计算研究了配合物的分子结构和电子结构。此外,受最近发现SARS-CoV-2主要蛋白酶抑制剂的启发,对这些复合物进行了分子对接研究,以预测配体与SARS-CoV-2主要蛋白酶(PDB ID: 7046)对COVID-19的结合模式和相互作用。并利用硅分子对接方法研究了镍(II)配合物与HIV病毒(PDB ID: 1UUI)的结合势。从蛋白质数据库中检索SARS-CoV-2和HIV病毒主要蛋白酶的x射线晶体结构,并将其用作受体蛋白。镍(II)配合物(1)-(4)与SARS-CoV-2 (PDB ID: 7046)病毒的分子对接计算结果显示,其结合能(-9.6 ~ -6.9 kcal/mol)高于HIV病毒(-9.3 ~ -6.7 kcal/mol),抗SARS-CoV-2药物与氯喹(-6.293 kcal/mol)、羟氯喹(-5.573 kcal/mol)和瑞德西韦(-6.352 kcal/mol)的对接结果相同。总的来说,硅分子对接研究提供了镍(II)配合物作为抗covid -19和抗hiv药物的潜在作用。
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引用次数: 0
Microwave-assisted synthesis of -CF3 functionalized 3,4-dihydropyrimidinone/thione/imine derivatives by using potassium phthalimide (PPI) as a green and reusable organocatalyst and their anti-microbial evaluation 以邻苯二甲酰亚胺钾(PPI)为绿色可重复使用有机催化剂,微波辅助合成CF3功能化3,4-二氢嘧啶酮/硫酮/亚胺衍生物及其抗菌性能评价
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-06-19 DOI: 10.56042/ijc.v62i6.2523
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引用次数: 0
Synthesis of alkaloids 3,3’-(pyridin-2-yl)methylene)bis(1H-sustituted-indole) via infra red irradiation as heating and their evaluation antifungal against Candida albicans, Cryptococcus neoformans and Aspergillus fumigatus 红外加热合成生物碱3,3′-(吡啶-2-基)亚甲基)双(1h -取代吲哚)及其对白色念珠菌、新型隐球菌和烟曲霉的抑菌效果评价
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-06-19 DOI: 10.56042/ijc.v62i6.2533
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引用次数: 0
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INDIAN JOURNAL OF CHEMISTRY
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