Ferrocene-based guanidine derivatives: In vitro antimicrobial, DNA binding and docking supported urease inhibition studies

Gul, Rukhsana; Rauf, M. Khawar; Badshah, Amin; Azam, Syed Sikander; Tahir, Muhammad Nawaz; Khan, Azim

doi:10.1016/j.ejmech.2014.07.109

Cited by 35 publications

(30 citation statements)

References 61 publications

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“…The LIGPLOT interaction images show that compound 3b has a total of seven interactions with enzyme site A (Figure 5a). is in agreement with the data reported in the literature [26,28]. More interestingly a better correlation was found between IC50 values and the moldock H-binding energy (Figure 4).…”

Section: In Silico Studies With Ureasesupporting

confidence: 92%

“…We found a linear correlation between the experimental IC 50 values and the calculated binding energy, as shown in Figure 3. This linear correlation of results is in agreement with the data reported in the literature [26,28]. More interestingly a better correlation was found between IC 50 values and the moldock H-binding energy (Figure 4).…”

Section: In Silico Studies With Ureasesupporting

confidence: 92%

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Synthesis of N-(6-Arylbenzo[d]thiazole-2-acetamide Derivatives and Their Biological Activities: An Experimental and Computational Approach

et al. 2016

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Abstract:A new series of N-(6-arylbenzo [d]thiazol-2-yl)acetamides were synthesized by C-C coupling methodology in the presence of Pd(0) using various aryl boronic pinacol ester/acids. The newly synthesized compounds were evaluated for various biological activities like antioxidant, haemolytic, antibacterial and urease inhibition. In bioassays these compounds were found to have moderate to good activities. Among the tested biological activities screened these compounds displayed the most significant activity for urease inhibition. In urease inhibition, all compounds were found more active than the standard used. The compound N-(6-(p-tolyl)benzo[d]thiazol-2-yl)acetamide was found to be the most active. To understand this urease inhibition, molecular docking studies were performed. The in silico studies showed that these acetamide derivatives bind to the non-metallic active site of the urease enzyme. Structure-activity studies revealed that H-bonding of compounds with the enzyme is important for its inhibition.

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Section: In Silico Studies With Ureasesupporting

confidence: 92%

Section: In Silico Studies With Ureasesupporting

confidence: 92%

Synthesis of N-(6-Arylbenzo[d]thiazole-2-acetamide Derivatives and Their Biological Activities: An Experimental and Computational Approach

et al. 2016

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“…LC-MS was recorded in CH 3 CN solvent at ambient temperature on an Agilent 6310 ion trap instrument. Synthesis of N,N,N′-trisubstituted thioureas (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12) The syntheses of N,N,N′-trisubstituted thiourea ligands were carried out according to the reported methodology [8][9][10][11]. To a solution of an appropriate acyl isothiocyanate (20 mmol) in acetone (30 mL) was added dropwise a solution of corresponding amine (20 mmol) dissolved in acetone with constant stirring.…”

Section: Materials and Measurementsmentioning

confidence: 99%

“…Crystals suitable for X-ray diffraction measurements were obtained by slow evaporation of methanol/chloroform (1:1) solution of the complexes. The 1 H and 13 C NMR, FT-IR, the elemental analyses, melting point data for the ligands (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12) and complexes (1a-12a) are as follows:…”

Section: Synthesis Of Ni(ii) Complexes (1a-12a)mentioning

confidence: 99%

“…It has been acknowledged that the activity of the metal centres toward the target bio-molecules can be tuned through a suitable choice of ligands. Recently, many of the acyl thioureas and their metal complexes have been screened as antitumoral, antimicrobial and enzyme inhibitors [8][9][10][11], parasiticidal [12], fungicidal, bactericidal [13] and pesticidal agents [14][15][16], and have shown excellent results.…”

Section: Introductionmentioning

confidence: 99%

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Synthesis, characterization and urease inhibition, in vitro anticancer and antileishmanial studies of Ni(II) complexes with N,N,N′-trisubstituted thioureas

et al. 2015

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A series of N,N,N'-trisubstituted thioureas (1-12) and their Ni(II) complexes (1a-12a) were synthesized and characterized by multinuclear ((1)H and (13)C) NMR, FT-IR spectroscopy and LC-MS techniques in combination with elemental analysis. The crystal structures of both ligands and Ni(II) chelates of type Ni(L-O, S)2 were determined by single crystal X-ray diffraction analysis. All the complexes were adopted to have square planar geometry, where the N,N,N'-trisubstituted thioureas showed bidentate mode of coordination at nickel centre through oxygen and sulfur atoms. The synthesized complexes were screened for potential inhibitors of Jack bean urease. Compounds 1a and 3a were observed as most potent inhibitors of urease exhibiting IC50 values of 1.17 ± 0.12 and 1.19 ± 0.41 µM, respectively. Cytotoxicity assay on lung carcinoma (H-157) and kidney fibroblast (BHK-21) cell showed that compounds were significant anticancer agents. Additionally, the complexes were tested against Leishmania major and found to be potent antileishmanial agents.

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Ferrocene‐Based Metallodrugs

Shoukat

Altaf

Badshah

2020

Advances in Metallodrugs

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Ferrocene-based guanidine derivatives: In vitro antimicrobial, DNA binding and docking supported urease inhibition studies

Cited by 35 publications

References 61 publications

Synthesis of N-(6-Arylbenzo[d]thiazole-2-acetamide Derivatives and Their Biological Activities: An Experimental and Computational Approach

Synthesis of N-(6-Arylbenzo[d]thiazole-2-acetamide Derivatives and Their Biological Activities: An Experimental and Computational Approach

Synthesis, characterization and urease inhibition, in vitro anticancer and antileishmanial studies of Ni(II) complexes with N,N,N′-trisubstituted thioureas

Ferrocene‐Based Metallodrugs

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