Green synthesis, urease inhibitory activity and antioxidant potential of 4-bromo-2-(((2′-chloro-4′-nitrophenyl)imino)methyl)phenol Schiff base

Zulfiqar, Abid; Ahmed, Dildar; Fatima, Rabia; Yousuf, Sammer

doi:10.1016/j.molstruc.2019.127263

Cited by 15 publications

(1 citation statement)

References 7 publications

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“…The phenol hypochlorite method was used to determine the in vitro inhibitory activity of compounds against the urease enzyme. [44,45] The reaction mixture consisted of 55 μL 0.5 M phosphate buffer having pH 6.8, 10 μL of 0.015 unit's jack bean urease enzyme (Sigma Inc), and 10 μL of the test compound in 96-well plate. The matters were pre-incubated at 37 °C for 10 min.…”

Section: Anti-urease Assaymentioning

confidence: 99%

Design, Synthesis, Characterization and Computational Studies of Mannich Bases Oxadiazole Derivatives as New Class of Jack Bean Urease Inhibitors

Mutahir

Khan

Almehizia

et al. 2023

Chemistry & Biodiversity

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Mannich bases consisting of 1,3,4‐oxadiazole‐2‐thione (3 a–3 l) bearing various substituents were synthesized and found potent jack bean urease inhibitors. The prepared compounds showed significantly good inhibitory activities with IC50 values from 9.45±0.05 to 267.42±0.23 μM. The compound 3 k containing 4‐chlorophenyl (−R) and 4‐hydroxyphenyl (−R′) was most active with IC50 9.45±0.05 μM followed by 3 e (IC50 22.52±0.15 μM) in which −R was phenyl and −R′ was isopropyl group. However, when both −R and −R′ were either 4‐chlorophenyl groups (3 l) or only −R′ was 4‐nitrophenyl (3 i), both compounds were found inactive. The detailed binding affinities of the produced compounds with protein were explored through molecular docking and data‐supported in‐vitro enzyme inhibition profiles. Drug likeness was confirmed by in silico ADME investigations and molecular orbital analysis (HOMO‐LUMO) and electrostatic potential maps were got from DFT calculations. ESP maps exposed that there are two potential binding sites with the most positive and most negative parts.

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Section: Anti-urease Assaymentioning

confidence: 99%

Design, Synthesis, Characterization and Computational Studies of Mannich Bases Oxadiazole Derivatives as New Class of Jack Bean Urease Inhibitors

Mutahir

Khan

Almehizia

et al. 2023

Chemistry & Biodiversity

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Fabrication of Schiff’s base-functionalized porous carbon materials for the effective removal of toxic metals from wastewater

et al. 2021

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Ciprofloxacin analogues: drug likeness, biological and molecular docking studies

Asghar

Arshad

2023

J.Umm Al-Qura Univ. Appll. Sci.

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The search for new antimicrobial agents due to the development of antimicrobial resistance is one of the greatest points of concern among medicinal chemists. It has been observed that the infections due to the antimicrobial resistance pathogens are one of the reasons for the mortality. Therefore, it is really important to find out some new low molecular weight antimicrobial drugs with different mode of action. Despite of being a better antibiotic, ciprofloxacin represented resistance against many pathogens. Herein, this study reported the synthesis of novel analogues of ciprofloxacin (1) including 1,3,4-oxadiazole, thiazolidine-4-one, 1,3,4-oxazoline, 1,2,4-triazole, Schiff's base, hydrazide, and 1,3,4-thiadiazole (2–8), following their computational assessment. All analogues were then synthesized and characterized using FT-IR, NMR, Mass spectroscopy, etc. The prepared analogs were then assessed for antimicrobial properties against bacterial pathogens and fungal isolates using disc diffusion and serial dilution methodology. To observe the toxicity of the prepared analogs the MTT assay was performed against HepG2 cells. The receptor glucosamine-6-phosphatase (GlcN-6P) and lanosterol 14-alpha-demethylase (CYP51) were used for the molecular docking assay using Auto Dock Tools-1.5.6 to evaluate the degree of hydrogen bonding and binding affinities. It was observed that analogue (2) established strong hydrogen bonds with the both receptors, with great binding affinities.

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Green synthesis, urease inhibitory activity and antioxidant potential of 4-bromo-2-(((2′-chloro-4′-nitrophenyl)imino)methyl)phenol Schiff base

Cited by 15 publications

References 7 publications

Design, Synthesis, Characterization and Computational Studies of Mannich Bases Oxadiazole Derivatives as New Class of Jack Bean Urease Inhibitors

Design, Synthesis, Characterization and Computational Studies of Mannich Bases Oxadiazole Derivatives as New Class of Jack Bean Urease Inhibitors

Fabrication of Schiff’s base-functionalized porous carbon materials for the effective removal of toxic metals from wastewater

Ciprofloxacin analogues: drug likeness, biological and molecular docking studies

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