Insights into the Binding of 2-Aminobenzothiazole with Human Serum Albumin (HSA): Spectroscopic Investigation and Molecular Modeling Studies

Sun, Yajing; Su, Baoling; Xu, Qifei; Liu, Rutao

doi:10.1366/11-06524

Cited by 16 publications

(6 citation statements)

References 38 publications

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“…Static quenching of BSA as induced by the metal complexes was confirmed by the obtained k q values. The latter is also supported by the characteristic UV‐Vis spectral changes in the UV‐Vis profile of BSA upon addition of the individual metal compounds [36c,40a,42] . Other ruthenium compounds in literature have reported similar K SV and k q values, e. g .…”

Section: Resultssupporting

confidence: 61%

“…The latter is also supported by the characteristic UV‐Vis spectral changes in the UV‐Vis profile of BSA upon addition of the individual metal compounds. [ 36c , 40a , 42 ] Other ruthenium compounds in literature have reported similar K SV and k q values, e. g . the ruthenium(II) compounds, [Ru(bpy) 2 smp](PF 6 ) (bpy=2,2’‐bipyridine, smp=sulfamethoxypyridazine) and [Ru( η 6 ‐ p ‐cymene)(diclo)Cl] (Hdiclo=2‐[(2,6‐dichlorophenyl)amino]benzeneacetic acid) possessed K SV values of 1.02×10 5 M −1 and 6.45×10 4 M −1 , respectively.…”

Section: Resultsmentioning

confidence: 85%

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Biomolecular Interactions of Cytotoxic Ruthenium Compounds with Thiosemicarbazone or Benzothiazole Schiff Base Chelates

et al. 2022

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Herein we illustrate the formation and characterization of new paramagnetic ruthenium compounds, trans-P-[RuCl(PPh 3 ) 2 (pmt)]Cl(1)Agarose gel electrophoresis experiments of the metal compounds illustrated dose-dependent binding to gDNA by 1-3, while methylene blue competition assays suggested that 1 and 2 are also DNA intercalators. Assessment of the effects of the compounds on topoisomerase function indicated that 1-3 are capable of inhibiting topoisomerase I activity in terms of the ability to nick supercoiled plasmid DNA. The cytotoxic activities of the metal complexes were determined against a range of cancer cell lines versus a nontumorigenic control cell line, and the complexes were, in general, more cytotoxic towards the cancer cells, displaying IC 50 values in the low micromolar range. Time-dependent stability studies showed that in the presence of strong nucleophilic species (such as DMSO), the chloride co-ligands of 1-3 are rapidly substituted by the former as proven by the suppression of the substitution reactions in the presence of an excess amount of chloride ions. The metal complexes are significantly stable in both DCM and an aqueous phosphate buffer containing 2 % DMSO.

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Section: Resultssupporting

confidence: 61%

Section: Resultsmentioning

confidence: 85%

Biomolecular Interactions of Cytotoxic Ruthenium Compounds with Thiosemicarbazone or Benzothiazole Schiff Base Chelates

et al. 2022

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“…Circular dichroism is a very sensitive technique, frequently used to monitor even minor conformational changes in protein upon binding to ligands [2b,13,39]. The CD spectra of native HSA in phosphate buffer solution at pH 7.4 was recorded and showed two negative bands at 208 nm and 222 nm indicative of π–π* and n–π* transfer of the peptide bond in the α‐helical structure of the protein [4b,40]…”

Section: Resultsmentioning

confidence: 99%

“…Considerable numbers of studies on the most precise interaction of HSA and small ligands have been reported so far . Our research group has been working on the design and synthesis of new antimalarial compounds, single crystal structure analysis and, most recently, on interaction studies of small molecules with serum albumin.…”

Section: Introductionmentioning

confidence: 99%

Insight into the interaction of benzothiazole tethered triazole analogues with human serum albumin: Spectroscopy and molecular docking approaches

Yadav

Dixit³

et al. 2019

Luminescence

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The interaction of four benzothiazole tethered triazole analogues (MS43, MS70, MS71, and MS78) with human serum albumin (HSA) was investigated using various spectroscopic techniques (ultraviolet-visible (UV-vis) light absorption, fluorescence, circular dichroism (CD), molecular docking and density functional theory (DFT) studies). Fluorescence quenching constants (~10 12 ) revealed a static mode of quenching and binding constants (K b~1 0 4 ) indicating the strong affinity of these analogues for HSA. Further alteration in the secondary structure of HSA in the presence of these analogues was also confirmed by far UV-CD spectroscopy. The intensity loss in CD studied at 222 nm indicated an increase in random coil/β-sheet conformations in the protein. Binding energy values (MS71 (−9.3 kcal mol −1 ), MS78 (−8.02 kcal mol −1 ), MS70 (−7.16 kcal mol −1 ) and MS43 (−6.81 kcal mol −1 )) obtained from molecular docking revealed binding of these analogues with HSA. Molecular docking and DFT studies validated the experimental results, as these four analogues bind with HSA at site II through hydrogen bonding and hydrophobic interactions.

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“…The obtained results of kaffir lime juice can be as well compared with the interaction of HSA with one of the essential thiazole derivatives, 2-amino benzothiazole (2-ABT), which is widely used as a structural unit in the synthesis of antioxidants, anti-inflammatories, herbicides, antibiotics, and thermoplastic polymers. The interaction of 2-ABT with HSA under simulated physiological conditions by three-dimensional (3D) fluorescence showed high binding and fluorescence quenching spectra properties [52].…”

Section: Fluorescence Properties Of Kaffir Lime Juicementioning

confidence: 99%

Chemical, Aroma and Pro-Health Characteristics of Kaffir Lime Juice—The Approach Using Optimized HS-SPME-GC-TOFMS, MP-OES, 3D-FL and Physiochemical Analysis

Lubinska-Szczygeł,

Polkowska,

Rutkowska

et al. 2023

IJMS

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The study aimed to provide the chemical, aroma and prohealth characteristics of the kaffir lime juice. A procedure using solid-phase microextraction with gas chromatography (SPME-GC-TOFMS) was optimized and validated for the determination of terpenes of kaffir lime. Main physicochemical parameters: pH, vitamin C, citric acid and °Brix were evaluated. Micro- and macro elements were determined using microwave plasma optic emission spectrometry (MP-OES). The binding of kaffir lime terpenes to human serum albumin (HSA) was investigated by fluorescence spectroscopy (3D-FL). β-Pinene and Limonene were selected as the most abundant terpenes with the concentration of 1225 ± 35 and 545 ± 16 µg/g, respectively. The values of citric acid, vitamin C, °Brix and pH were 74.74 ± 0.50 g/kg, 22.31 ± 0.53 mg/100 mL, 10.35 ± 0.70 and 2.406 ± 0.086 for, respectively. Iron, with a concentration of 16.578 ± 0.029 mg/kg, was the most abundant microelement. Among the macroelements, potassium (8121 ± 52 mg/kg) was dominant. Kaffir lime binding to HSA was higher than β-Pinene, which may indicate the therapeutic effect of the juice. Kaffir lime juice is a source of terpenes with good aromatic and bioactive properties. Fluorescence measurements confirmed its therapeutic effect. Kaffir lime juice is also a good source of citric acid with potential industrial application. The high content of minerals compared to other citruses increases its prohealth value.

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Insights into the Binding of 2-Aminobenzothiazole with Human Serum Albumin (HSA): Spectroscopic Investigation and Molecular Modeling Studies

Cited by 16 publications

References 38 publications

Biomolecular Interactions of Cytotoxic Ruthenium Compounds with Thiosemicarbazone or Benzothiazole Schiff Base Chelates

Biomolecular Interactions of Cytotoxic Ruthenium Compounds with Thiosemicarbazone or Benzothiazole Schiff Base Chelates

Insight into the interaction of benzothiazole tethered triazole analogues with human serum albumin: Spectroscopy and molecular docking approaches

Chemical, Aroma and Pro-Health Characteristics of Kaffir Lime Juice—The Approach Using Optimized HS-SPME-GC-TOFMS, MP-OES, 3D-FL and Physiochemical Analysis

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