Mechanisms of the interaction of bovine serum albumin with anticancer drug gemcitabine

Goncharenko, N. A.; Dmytrenko, О. P.; Kulish, M. P.; Pavlenko, O. L.; Lesiuk, A. I.; Busko, T. O.; Pundyk, Iryna; Pinchuk-Rugal, Т. М.; Chegel, V. I.; Lopatynskyi, A. M.; Kanyuk, M. I.; Denis, Laurent

doi:10.1080/15421406.2020.1732563

Cited by 11 publications

(2 citation statements)

References 17 publications

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“…At the same time, the induced PL quenching is observed in a wide range of concentrations from 1 × 10 −9 M to 1 × 10 −4 M. Moreover, there is a significant difference in the quenching values for concentrations C-107 1 × 10 −9 M, 1 × 10 −8 M and higher concentration values of 1 × 10 −5 M, 1 × 10 −4 M. The [17][18][19][20][21]. It can be assumed that the known PL quenching mechanisms described by the Stern-Volmer equation or its modifications cannot be used for this system.…”

Section: Pl Quenching In Water Solutions Of Atp and Calix[4]arenementioning

confidence: 79%

Peculiarities of the Fluorescence Quenching in the ATP – Calix[4]arene C-107 Aqueous Solutions

Starzhynska,

Dmytrenko,

Kulish

et al. 2024

Ukr. J. Phys.

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The nature of fluorescence (FL) quenching for the aqueous solutions of adenosine triphosphate (ATP) with calix[4]arenes C-107 in the presence of silver nitrate AgNO3 is studied. It is shown that, for the water solutions of ATP and calix[4]arenes C-107 at a constant concentration of ATP molecules with an increase in the content of C-107, a complex nature of the PL quenching is observed, while maintaining the position of the PL band near 395 nm (λex = 285 nm). Its complexity is based, on the one hand, in the wide range of concentrations of C-107, at which it occurs, and, on the other hand, there are gaps in the quenching values for individual concentrations of calix[4]arene, near which it changes slightly. The indicated nature of the PL quenching significantly depends on the wavelength of excitation and the temperature. Similar quenching behavior is preserved, when AgNO3s alts are added to the ATP–C-107 mixtures, (CATP = CC-107 = 1 × 10−4M) in the concentration range from 1 × 10−4M to 1 × 10−3M. The computer modeling shows that the system ATP–C-107 can form energetically stable complexes, when ATP is located on the top of the calix[4]arene and along the wall of it due to π-π-stacking interaction, and the complexes are characterized by a shrinking of the energy bands.

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Section: Pl Quenching In Water Solutions Of Atp and Calix[4]arenementioning

confidence: 79%

Peculiarities of the Fluorescence Quenching in the ATP – Calix[4]arene C-107 Aqueous Solutions

Starzhynska,

Dmytrenko,

Kulish

et al. 2024

Ukr. J. Phys.

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“…Though the DFT studies of gemcitabine alone using Gaussian package have been reported earlier [ 60 ], we have investigated the DFT studies of various conformers described in the molecular docking section using the ORCA package. The frontier molecular orbitals (FMOs) (highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO)) of free and complexed gemcitabine are displayed in Table 6 .…”

Section: Resultsmentioning

confidence: 99%

Experimental and Computational Investigation on the Interaction of Anticancer Drug Gemcitabine with Human Plasma Protein: Effect of Copresence of Ibuprofen on the Binding

Ali

Al‐Lohedan

2022

Molecules

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The interaction of common anticancer drug gemcitabine with human serum albumin (HSA) has been studied in detail. The effect of an omnipresent nonsteroidal anti-inflammatory drug ibuprofen was also seen on the binding of HSA and gemcitabine. A slight hyperchromic shift in the difference UV-visible absorption spectra of HSA on the addition of gemcitabine gave a primary idea of the possible complex formation between them. The inner filter effect, which happens due to the significant absorbance of the ligand at the excitation and/or emission wavelengths, played an important role in the observed fluorescence quenching of HSA by gemcitabine that can be understood by comparing the observed and corrected fluorescence intensities obtained at λex = 280 nm and 295 nm. Gemcitabine showed weak interaction with HSA, which took place via a dynamic quenching mechanism with 1:1 cooperative binding between them. Secondary structural analysis, based on circular dichroism (CD) spectroscopy, showed that low concentrations of gemcitabine did not affect the native structure of protein; however, higher concentrations affected it slightly with partial unfolding. For understanding the binding site of gemcitabine within HSA, both experimental (using site markers, warfarin and ibuprofen) as well as computational methods were employed, which revealed that the gemcitabine binding site is located between the interface of subdomain IIA and IIB within the close proximity of the warfarin site (drug site 1). The effect of ibuprofen on the binding was further elaborated because of the possibility of its coexistence with gemcitabine in the prescription given to the cancer patients, and it was noticed that, ibuprofen, even present in high amounts, did not affect the binding efficacy of gemcitabine with HSA. DFT analyses of various conformers of gemcitabine obtained from its docking with various structures of HSA (free and bounded with site markers), show that the stability of the gemcitabine molecule increased slightly after binding with ibuprofen-complexed HSA. Both experimental as well as computational results were in good agreement with each other.

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Mechanisms of Heteroassociation of Ceftriaxone and Doxorubicin Drugs with Bovine Serum Albumin

Dmytrenko

Kulish

Pavlenko

et al. 2021

Springer Proceedings in Physics

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Mechanisms of the interaction of bovine serum albumin with anticancer drug gemcitabine

Cited by 11 publications

References 17 publications

Peculiarities of the Fluorescence Quenching in the ATP – Calix[4]arene C-107 Aqueous Solutions

Peculiarities of the Fluorescence Quenching in the ATP – Calix[4]arene C-107 Aqueous Solutions

Experimental and Computational Investigation on the Interaction of Anticancer Drug Gemcitabine with Human Plasma Protein: Effect of Copresence of Ibuprofen on the Binding

Mechanisms of Heteroassociation of Ceftriaxone and Doxorubicin Drugs with Bovine Serum Albumin

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