Synthesis, Structure and Antibacterial Activity of Potent DNA Gyrase Inhibitors: N′-Benzoyl-3-(4-Bromophenyl)-1H-Pyrazole-5-Carbohydrazide Derivatives

Sun, Juan; Lv, Peng‐Cheng; Yin, Yong; Yuan, Rong-Ju; Ma, J.; Zhu, Hai‐Liang

doi:10.1371/journal.pone.0069751

Cited by 24 publications

(11 citation statements)

References 28 publications

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“…These results show that 1 had especially high activity against bacteria compared to yeast and fungi. Similar results of the promising antibacterial activities have been reported by two compounds 25 against B. subtilis with MIC of 1.12, 3.66 μg.mL −1 .…”

Section: Antimicrobial Activitysupporting

confidence: 88%

Structural, physicochemical characterization and antimicrobial activities of a new Tetraaqua bismaleato Iron(II) complex

Essghaier

Abdelhak²,

Naouar

et al. 2015

J Chem Sci

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Tetraaqua bismaleato iron(II) [Fe(C 4 H 3 O 4) 2 (H 2 O) 4 ], (1) is a new synthetic antimicrobial agent. Thermal analysis shows that the dehydration of the compound occurs in agreement with the structure. The single crystal salt crystallizes in the triclinic space group P-1 with a = 5.171(2) Å, b = 7.309(3) Å, c = 9.731(3) Å, α = 109.15(2) • , β = 115.02(2) • , γ = 92.42(1) • , V = 313.6(3) Å 3 and Z = 1. Three dimensional network is formed by strong intermolecular O-H. .. O hydrogen bonds. Magnetic susceptibility measurements of 1 in the range 2-300 K exhibited paramagnetic behavior at high temperature. However, at low temperature, the susceptibility data showed weak antiferromagnetic interactions between the local spins. Antimicrobial activity of 1 was tested. It showed high response against gram-positive and gram-negative bacteria as well as fungi and the MIC and IC50 values ranged from 8 to 256 μg.mL −1 and from 1.38 to 22.19 μg.mL −1 , respectively.

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Section: Antimicrobial Activitysupporting

confidence: 88%

Structural, physicochemical characterization and antimicrobial activities of a new Tetraaqua bismaleato Iron(II) complex

Essghaier

Abdelhak²,

Naouar

et al. 2015

J Chem Sci

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“…Amino acid residue Arg84 is involved in pi-cation interaction (data not shown). This interaction corresponds with those published in the pyrazole-hydrazide gyrase complex [29] but differs in the case of ciprofloxacin-gyrase complex where Arg84 is involved in hydrogen bonding. Two pi-anion interactions are established between R3 and Glu58.…”

Section: Molecular Docking Studysupporting

confidence: 85%

In Vitro, Molecular Docking, and In Silico Binding Mode Analysis of Organic Compounds for Antimicrobial and Anticancer Activity against Jurkat, HCT116, and A549 Cell Lines.

et al. 2020

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A set of four novel organic molecules bearing hydrazide, azomethine, and sulfonamide linkages were synthesized by a condensation reaction, and characterized using ubiquitous spectroscopic techniques. The synthesized molecules were screened against Jurkat, HCT116, and A549 cell lines for their in‐vitro cytotoxic activity, antimicrobial activity and were found to be promising as anticancer and antimicrobial agents. Among four molecules, pyridine‐hydroxynaphalene based molecule (R3) showed comprehensive anticancer activity towards all three cancer cell lines. On the other hand, R1, R2, and R4 were found to be moderate antimicrobial agents. The mode of action for anticancer activity and antimicrobial activity was further supported by molecular docking studies of the potent compounds against the enzyme Methinonyl‐TRNA Synthetase (PDB ID:1PG2), bacterial DNA Gyrase B (PDB ID:3G75), and yeast GTPase (PDB ID:3 A58). Further, Molecular dynamics (MD) simulations studies were analyzed to study the stability of the ligand‐protein complex.

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“…These interactions might play a crucial role in stabilizing the docked complex of the structures. The present work is in favor with the findings of Sun J et al ., . Synthesis and evaluation of a series of novel inhibitors was reported based on the N′‐benzoyl‐3‐(4‐bromophenyl)‐1H‐pyrazole‐5‐carbohydrazide scaffold against DNA gyrase B.…”

Section: Resultsmentioning

confidence: 99%

Design, Synthesis, DNA Binding, and Docking Studies of Thiazoles and Thiazole‐Containing Triazoles as Antibacterials

et al. 2018

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A series of thiazoles 4 a-g and thiazole clubbed triazoles 5 a-f were synthesized and showed good antibacterial activity against, Pseudomonas aeruginosa, Escherchia coli, Staphylococcus aureus and Bacillus subtilis. Particularly, 4 a (methyl), 5 b (nitro) and 5 d (fluoro) derivatives demonstrated a broad range of activity over other derivatized compounds. In addition, Computational interaction, ADMET (absorption, distribution, metabolism, and excretion -toxicity in pharmacokinetics), Lipinski's rule and DNA binding studies of all the results stacked together indicated that 5 b can be further developed as lead molecule against bacterial pathogens.[a] R.

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Synthesis, Structure and Antibacterial Activity of Potent DNA Gyrase Inhibitors: N′-Benzoyl-3-(4-Bromophenyl)-1H-Pyrazole-5-Carbohydrazide Derivatives

Cited by 24 publications

References 28 publications

Structural, physicochemical characterization and antimicrobial activities of a new Tetraaqua bismaleato Iron(II) complex

Structural, physicochemical characterization and antimicrobial activities of a new Tetraaqua bismaleato Iron(II) complex

In Vitro, Molecular Docking, and In Silico Binding Mode Analysis of Organic Compounds for Antimicrobial and Anticancer Activity against Jurkat, HCT116, and A549 Cell Lines.

Design, Synthesis, DNA Binding, and Docking Studies of Thiazoles and Thiazole‐Containing Triazoles as Antibacterials

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