Fungicide Tebuconazole Influences the Structure of Human Serum Albumin Molecule

Želonková, K.; Havadej, Samuel; Verebová, Valéria; Holečková, Beáta; Uličný, Jozef; Staničová, Jana

doi:10.3390/molecules24173190

Cited by 15 publications

(8 citation statements)

References 61 publications

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“…Albumin is not just passive, but an active participant in pharmacokinetic and toxicokinetic processes too. The esterase or pseudoesterase activity of albumin against α-naphthyl acetate and p -nitrophenyl acetate (NPA), FA esters, aspirin, ketoprofen glucuronide, cyclophosphamide, nicotinic acid esters, octanoyl-ghrelin, nitroacetanilide, p -nitrofluoroacetanilide and some OPs have been demonstrated in numerous experiments [ 56 , 66 , 67 , 68 ]. A typical example of the pseudoesterase activity of albumin is acetylation.…”

Section: Enzymatic Activity Of Albuminmentioning

confidence: 99%

Serum Albumin in Health and Disease: Esterase, Antioxidant, Transporting and Signaling Properties

Belinskaia

Voronina

Шмурак

et al. 2021

IJMS

141

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Being one of the main proteins in the human body and many animal species, albumin plays a decisive role in the transport of various ions—electrically neutral and charged molecules—and in maintaining the colloidal osmotic pressure of the blood. Albumin is able to bind to almost all known drugs, as well as many nutraceuticals and toxic substances, largely determining their pharmaco- and toxicokinetics. Albumin of humans and respective representatives in cattle and rodents have their own structural features that determine species differences in functional properties. However, albumin is not only passive, but also an active participant of pharmacokinetic and toxicokinetic processes, possessing a number of enzymatic activities. Numerous experiments have shown esterase or pseudoesterase activity of albumin towards a number of endogeneous and exogeneous esters. Due to the free thiol group of Cys34, albumin can serve as a trap for reactive oxygen and nitrogen species, thus participating in redox processes. Glycated albumin makes a significant contribution to the pathogenesis of diabetes and other diseases. The interaction of albumin with blood cells, blood vessels and tissue cells outside the vascular bed is of great importance. Interactions with endothelial glycocalyx and vascular endothelial cells largely determine the integrative role of albumin. This review considers the esterase, antioxidant, transporting and signaling properties of albumin, as well as its structural and functional modifications and their significance in the pathogenesis of certain diseases.

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Section: Enzymatic Activity Of Albuminmentioning

confidence: 99%

Serum Albumin in Health and Disease: Esterase, Antioxidant, Transporting and Signaling Properties

Belinskaia

Voronina

Шмурак

et al. 2021

IJMS

141

View full text Add to dashboard Cite

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“…Such hydrophobic spaces may be occupied by the hydrophobic regions of the TB molecule associated with the tert-butyl substituent. The possibility of this type of interactions was confirmed in the above-mentioned studies on TB docking to CYP51 and human serum albumin [50,51], and was suggested by many other authors [16,17,26,27].…”

Section: Mechanisms Of Tb Adsorption On Som and Clay Mineralsmentioning

confidence: 52%

“…Moreover, there is also the possibility of π-π interactions of aromatic rings. The existence of such interactions was also indicated in previous studies on TB docking to the active sites of the CYP51 enzyme and the human serum albumin [50,51]. It seems that the formation of hydrogen bonds can be the dominant type of interaction of TB molecule in more polar regions of SOM with numerous functional groups (-OH, =C=O, =NH, or -NH 2 ).…”

Section: Mechanisms Of Tb Adsorption On Som and Clay Mineralsmentioning

confidence: 53%

Mechanisms of Tebuconazole Adsorption in Profiles of Mineral Soils

et al. 2021

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The study attempted to identify the soil components and the principal adsorption mechanisms that bind tebuconazole in mineral soils. The KF values of the Freundlich isotherm determined in 18 soils from six soil profiles in batch experiments after 96 h of shaking ranged from 1.11 to 16.85 μg1–1/n (mL)1/n g–1, and the exponent 1/n values from 0.74 to 1.04. The adsorption of tebuconazole was inversely correlated with the soil pH. Both neutral and protonated forms of this organic base were adsorbed mainly on the fraction of humins. The adsorption of the protonated form increased in the presence of hydrogen cations adsorbed in the soil sorption sites. Fourier transform infrared spectroscopy coupled with the molecular modeling studies and partial least squares regression analysis indicated that the tebuconazole molecule is bound in the organic matter through the formation of hydrogen bonds as well as hydrophobic and π–π interactions. Ion exchange was one of the adsorption mechanisms of the protonated form of this fungicide. The created mathematical model, assuming that both forms of tebuconazole are adsorbed on the organic matter and adsorption of the protonated form is affected by the potential acidity, described its adsorption in soils well.

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“…The binding constants K a were calculated by the double logarithm equation (log[( F 0 / F )/ F ] ~ log[Q]) as show in Figure 9 49

\log (F_{0} - F) / F = \log K_{a} + n \log [normalQ] .

…”

Section: Resultsmentioning

confidence: 99%

Investigation of steric hindrance effect on the interactions between four alkaloids and HSA by isothermal titration calorimetry and molecular docking

Lv,

Li,

Zhang

et al. 2024

J of Molecular Recognition

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The binding of four alkaloids with human serum albumin (HSA) was investigated by isothermal titration calorimetry (ITC), spectroscopy and molecular docking techniques. The findings demonstrated that theophylline or caffeine can bind to HAS, respectively. The number of binding sites and binding constants are obtained. The binding mode is a static quenching process. The effects of steric hindrance, temperature, salt concentration and buffer solution on the binding indicated that theophylline and HSA have higher binding affinity than caffeine. The fluorescence and ITC results showed that the interaction between HSA and theophylline or caffeine is an entropy‐driven spontaneous exothermic process. The hydrophobic force was the primary driving factor. The experimental results were consistent with the molecular docking data. Based on the molecular structures of the four alkaloids, steric hindrance might be a major factor in the binding between HSA and these four alkaloids. This study elucidates the mechanism of interactions between four alkaloids and HSA.

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Fungicide Tebuconazole Influences the Structure of Human Serum Albumin Molecule

Cited by 15 publications

References 61 publications

Serum Albumin in Health and Disease: Esterase, Antioxidant, Transporting and Signaling Properties

Serum Albumin in Health and Disease: Esterase, Antioxidant, Transporting and Signaling Properties

Mechanisms of Tebuconazole Adsorption in Profiles of Mineral Soils

Investigation of steric hindrance effect on the interactions between four alkaloids and HSA by isothermal titration calorimetry and molecular docking

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