- Novel benzimidazole derivatives; synthesis, bioactivity and molecular docking study as potent urease inhibitors
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Background: Benzimidazole derivatives?are?widely?used?to?design and?synthesize?novel bioactive compounds.?There are several approved benzimidazole-based?drugs?on?the?market. Objectives: In this study, we aimed to design and?synthesize?a series of novel benzimidazole derivatives 8a-n?that?are?urease inhibitors. Methods: All 8a-n were synthesized in a multistep. To determine the urease inhibitory effect of 8a-n, the urease inhibition kit was used. The cytotoxicity assay of 8a-n was determined using MTT method. Molecular modelling was determined using autodock software. Results: All?8a-n were synthesized in high yield, and their structures were determined using 1H-NMR, 13C-NMR, MS, and elemental analyses. In compared to thiourea and hydroxyurea as standards (IC50: 22 and 100?μM, respectively), all 8a-n had stronger urease inhibition activity (IC50: 3.36—10.81?μM). With an IC50 value of 3.36?μM, 8e had the best enzyme inhibitory activity. On two evaluated cell lines, the MTT cytotoxicity experiment revealed that all 8a-n have IC50 values greater than 50?μM. Finally, a docking investigation revealed a plausible way of interaction between the 8e and 8d and the enzyme's active site's key residues. Conclusion: The synthesized benzimidazole derivatives exhibit high activity, suggesting that further research on this family of compounds would be beneficial to finding a potent urease inhibitor. Graphical abstract: [Figure not available: see fulltext.]
- Abdel-Jalil, Raid,Al-Sadi, Abdullah Mohammed,Amanlou, Massoud,Amini, Mohsen,Saeedian Moghadam, Ebrahim,Talebi, Meysam
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- Complementary Site-Selective Halogenation of Nitrogen-Containing (Hetero)Aromatics with Superacids
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Site-selective functionalization of arenes that is complementary to classical aromatic substitution reactions remains a long-standing quest in organic synthesis. Exploiting the generation of halenium ion through oxidative process and the protonation of the nitrogen containing function in HF/SbF5, the chlorination and iodination of classically inert Csp2?H bonds of aromatic amines occurs. Furthermore, the superacid-promoted (poly)protonation of the molecules acts as a protection, favoring the late-stage selective halogenation of natural alkaloids and active pharmaceutical ingredients.
- Mamontov, Alexander,Martin-Mingot, Agnès,Métayer, Benoit,Karam, Omar,Zunino, Fabien,Bouazza, Fodil,Thibaudeau, Sébastien
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supporting information
p. 10411 - 10416
(2020/07/30)
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- A Different Approach to the EGFR Inhibitor Gefitinib Involving Solid-Phase Synthesis
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An efficient solid-phase synthesis approach is here reported for the first time to prepare the EGFR inhibitor Gefitinib. The five-step synthetic strategy used FMP resin as the solid support, and FTIR and colorimetric assays were used to track the reaction's progress. Gefitinib was obtained with an overall yield of 40%.
- Sequeira, André,Louren?o, Ana,Ferreira, Luísa Maria,Branco, Paula Sério,Mendes, Zita,Louren?o, Nuno M. T.,Figueiredo, Margarida,Carvalho, Luísa C. R.
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p. 1346 - 1350
(2018/05/16)
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- Design, synthesis and anti-HIV activity of novel quinoxaline derivatives
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In order to design novel anti-HIV agents, pharmacophore modelling, virtual screening, 3D-QSAR and molecular docking studies were performed. Pharmacophore model was generated using 17 structurally diverse molecules using DISCOtech followed by refinement wi
- Patel, Saloni B.,Patel, Bhumika D.,Pannecouque, Christophe,Bhatt, Hardik G.
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p. 230 - 240
(2016/04/26)
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- Synthesis and antimalarial activity of Baylis-Hillman adducts from substituted 2-chloroquinoline-3-carboxaldehydes
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Various quinoline carboxaldehydes were prepared from corresponding anilides using classical Vilsmeier-Haack reaction conditions and transformed into their Baylis-Hillman adducts. The synthesized Baylis-Hillman adducts were screened for their in vitro antimalarial activity against Plasmodium falciparum . Most of the compounds out of 21 compounds synthesized and screened exhibited substantial antimalarial activity. by Walter de Gruyter.
- Srihari, Ejjirothu,Kumar, Gangala Siva,Kumar, Chebolu Naga Sesha Sai Pavan,Seth, Ratnesh Kumar,Biswas, Sukla,Sridhar, Balasubramanian,Rao, Vaidya Jayathirtha
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scheme or table
p. 111 - 119
(2011/11/30)
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- 6-FLUORO-7-(1-PIPERAZINYL)QUINOXALINE 1,4-DIOXIDES. PART I. 2-(N-2-HYDROXYALKYLCARBAMOYL) DERIVATIVES
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A series of N--β-aminoalkanol 1,4-dioxides (12a-h) have been synthesized for bioassay via the Beirut reaction of 5(6)-fluoro-6(5)-(4-methyl-1-piperazinyl)benzofuroxan (9) with the appropriate N-acetoacetyl-β-aminoalkanol in the presence of triethylamine.Preliminary in vitro investigations have indicated that none of the title compounds exhibits any significant antibacterial potency at concentrations /= 200 μg/ml.
- El-Abadelah, Mustafa M.,Nazer, Musa Z.,El-Abadla, Naser S.,Meier, Herbert
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p. 2203 - 2220
(2007/10/03)
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- Quinolonecarboxylic acid derivatives
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Quinolonecarboxylic acid derivatives of the following formula, STR1 wherein R1, R2, R3 and R4 are each independently hydrogen atom or lower alkyl group; the hydrates or the pharmaceutically acceptable acid addit
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