Design, docking, synthesis and anti &lt;i&gt;E. coli&lt;/i&gt; screening of novel thiadiazolo thiourea derivatives as possible inhibitors of Enoyl ACP reductase (FabI) enzyme

George, Sonia; Ramzeena, Mohammed Basheer; Ram, Sayee Vignesh; Selvaraj, Senthil Kumar; Rajan, Shinu; Ravi, T. K.

doi:10.3329/bjp.v9i1.16992

Cited by 8 publications

(9 citation statements)

References 5 publications

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“…Since synthesis procedure and structural characterization data of compounds 9 and 17 were already reported by George et al, 39) spectral data were not provided for these compounds.…”

Section: Micro-well Dilution Assaymentioning

confidence: 99%

Design, Synthesis, and Molecular Docking Studies of a Conjugated Thiadiazole–Thiourea Scaffold as Antituberculosis Agents

Tatar

Karakuş

Küçükgüzel

et al. 2016

Biological & Pharmaceutical Bulletin

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“…Since synthesis procedure and structural characterization data of compounds 9 and 17 were already reported by George et al, 39) spectral data were not provided for these compounds.…”

Section: Micro-well Dilution Assaymentioning

confidence: 99%

Design, Synthesis, and Molecular Docking Studies of a Conjugated Thiadiazole–Thiourea Scaffold as Antituberculosis Agents

Tatar

Karakuş

Küçükgüzel

et al. 2016

Biological & Pharmaceutical Bulletin

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“…The antibacterial results revealed that the derivatives,showed a zone of inhibition of 28 mm when compared to the standard, ciprofloxacin (30 mm) at 250 µg/mL.The activity profile of the designed compounds indicated that the new 1,3,4-thiadiazolyl thiourea derivatives are excellent candidates in antibacterial drug discovery. (12) …”

Section: )mentioning

confidence: 99%

Enoyl Acyl Carrier Protein Reductase Inhibitors: An Emerging Target

Toraskar¹,

Kamble²

2018

IJCTR

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:The evolution of drug resistant strains of important human pathogens has created an urgent necessity to find new targets and novel anti-infective agents such as anti-mycobacterial, anti-malarial and anti-fungal agents. Enoyl acyl carrier protein reductase is one of the most upcoming powerful target. Enoyl ACP reductase enzyme plays most determinant role in Fatty acid synthase II (FAS II) cycle. This review deals with the development made in the design of enoyl acyl carrier protein reductase inhibitors and the role played by 3D structure of the enzyme in drug design process. This review summarized on the recent advances made in the current understanding of enoyl acyl carrier protein reductase (ENR). The review focuses its potential as a promising drug target for future drug development against most anti-infective diseases.

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“…The cubic grid box of 60Å size ( , , and ) with a spacing of 0.375Å were centred on the active site of the protein. The X-ray crystal structure of the enzyme enoyl ACP reductase (FabI) of E. coli (PDB entry: 1C14) was retrieved from Protein Data Bank (http://www.rcsb.org/pdb/ home/home.do) [26]. The IR spectra showed the successful formation of 2a-2c with the presence of frequencies at 3397-3393 cm −1 attributed to V NH band.…”

Section: Molecular Dockingmentioning

confidence: 99%

Synthesis and Bacteriostatic Activities of Bis(thiourea) Derivatives with Variable Chain Length

Halim

Ngaini

2016

Journal of Chemistry

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A series of 1,4-bis(decoxyphenyl)carbamothioyl-terephthalamide derivatives was successfully synthesised by reaction of benzene-1,4-dicarbonyl isothiocyanate intermediates with long alkyl chain. The alkylation was performed via Williamson etherification of 4-acetamidophenol with bromoalkanes. The synthesised bis(thiourea) derivatives differed in the chain length, CnH2n+1, where n=10, 12, and 14. The structures of all compounds were characterised by elemental CHN analysis, IR, 1H, and 13C NMR spectroscopies. Bacteriostatic activities of bis(thiourea derivatives which consisted of two folds of N-H, C=O, and C=S and long alkyl chain substituents were carried out against Gram-negative bacteria (Escherichia coli, ATCC 25922) via turbidimetric kinetic method. Bis(thiourea) derivatives with n=10 and n=12 displayed excellent activity against E. coli with MIC of 135 µg/mL and 145 µg/mL, respectively, while bis(thiourea) derivatives with n=14 acted as cutoff point with no antibacterial properties. Similar trend was observed in binding affinity to the active site of enoyl ACP reductase (FabI), which demonstrated binding free energy of -5.3 Kcal/mol and -4.9 and -4.8 Kcal/mol, respectively.

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Design, docking, synthesis and anti <i>E. coli</i> screening of novel thiadiazolo thiourea derivatives as possible inhibitors of Enoyl ACP reductase (FabI) enzyme

Cited by 8 publications

References 5 publications

Design, Synthesis, and Molecular Docking Studies of a Conjugated Thiadiazole–Thiourea Scaffold as Antituberculosis Agents

Design, Synthesis, and Molecular Docking Studies of a Conjugated Thiadiazole–Thiourea Scaffold as Antituberculosis Agents

Enoyl Acyl Carrier Protein Reductase Inhibitors: An Emerging Target

Synthesis and Bacteriostatic Activities of Bis(thiourea) Derivatives with Variable Chain Length

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