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Wyświetlanie 1-3 z 3
Tytuł:
Synthesis and spectroscopic interpretations of Co(II), Ni(II) and Cu(II) decxycholate complexes with molecular docking of COVId-19 protease
Autorzy:
Refat, Moamen S.
Bakare, Safyah B.
Altalhi, Tariq A.
Alam, Kehkashan
Al-Hazmi, Ghaferah H.
Powiązania:
https://bibliotekanauki.pl/articles/1849269.pdf
Data publikacji:
2021
Wydawca:
Zachodniopomorski Uniwersytet Technologiczny w Szczecinie. Wydawnictwo Uczelniane ZUT w Szczecinie
Tematy:
deoxycholic acid
complexes
ESR
TGA/DSC
molecular docking
Opis:
Co(II), Ni(II) and Cu(II) decxycholate complexes are interesting due to their biologically active and deliberate interest in the research due to their coordination properties. The microanalytical ‘elemental analysis’, molar conductivity, (infrared and Raman) spectroscopy, thermal analyses (TGA/DSC), UV-vis spectra, and ESR for copper(II) decxycholate complex investigations were performed in the structural assignments of Co(II), Ni(II) and Cu(II) decxycholate complexes. Reaction of the sodium deoxycholate ligand (C24H39O4Na) with three transition metal ions form the complexes of formulae, [M(C24H39O4)2(H2O)2] . xH2O where M = Co(II), Ni(II) and Cu(II) where x = 2 for Cu(II) and x = 4 in case of M = Co(II) or Ni(II) metal ions. The FTIR spectra of the complexes show that decxycholate molecule is present as bidentate ligand. Molecular docking utilizing to additionally examine the interaction of COVID-19 (6LU7) with different complexes of deoxycholic acid with Co(II), Ni(II) and Cu(II). Furthermore, in the case of Co(II) deoxycholate complex, the probe is surrounded by amino residues Met235, Pro241, Glu240, Pro108, Gln110, Phe294, and Ile152. The probe molecule of Ni(II) deoxycholate complex is sited close to amino acids Tyr126, Tyr239, Leu287, Leu272, and Lys137. For, Cu(II) deoxycholate complex, the residues of amino acids comprise of Pro132, Pro108, Gln110, Gly109, Ile200, Asn203, Val202, His246, Pro293 and Tyr154. The binding energy was determined from the docking reads for Co(II)–6LU7, Ni(II)–6LU7 and Cu(II)–6LU7 deoxycholate compounds were found to be −446.99, −500.52, −398.13 kcal mol−1 individually.
Źródło:
Polish Journal of Chemical Technology; 2021, 23, 2; 54-59
1509-8117
1899-4741
Pojawia się w:
Polish Journal of Chemical Technology
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis and spectroscopic interpretations of Co(II), Ni(II) and Cu(II) decxycholate complexes with molecular docking of COVId-19 protease
Autorzy:
Refat, Moamen S.
Bakare, Safyah B.
Altalhi, Tariq A.
Alam, Kehkashan
Al-Hazmi, Ghaferah H.
Powiązania:
https://bibliotekanauki.pl/articles/1849271.pdf
Data publikacji:
2021
Wydawca:
Zachodniopomorski Uniwersytet Technologiczny w Szczecinie. Wydawnictwo Uczelniane ZUT w Szczecinie
Tematy:
deoxycholic acid
complexes
ESR
TGA/DSC
molecular docking
Opis:
Co(II), Ni(II) and Cu(II) decxycholate complexes are interesting due to their biologically active and deliberate interest in the research due to their coordination properties. The microanalytical ‘elemental analysis’, molar conductivity, (infrared and Raman) spectroscopy, thermal analyses (TGA/DSC), UV-vis spectra, and ESR for copper(II) decxycholate complex investigations were performed in the structural assignments of Co(II), Ni(II) and Cu(II) decxycholate complexes. Reaction of the sodium deoxycholate ligand (C24H39O4Na) with three transition metal ions form the complexes of formulae, [M(C24H39O4)2(H2O)2] . xH2O where M = Co(II), Ni(II) and Cu(II) where x = 2 for Cu(II) and x = 4 in case of M = Co(II) or Ni(II) metal ions. The FTIR spectra of the complexes show that decxycholate molecule is present as bidentate ligand. Molecular docking utilizing to additionally examine the interaction of COVID-19 (6LU7) with different complexes of deoxycholic acid with Co(II), Ni(II) and Cu(II). Furthermore, in the case of Co(II) deoxycholate complex, the probe is surrounded by amino residues Met235, Pro241, Glu240, Pro108, Gln110, Phe294, and Ile152. The probe molecule of Ni(II) deoxycholate complex is sited close to amino acids Tyr126, Tyr239, Leu287, Leu272, and Lys137. For, Cu(II) deoxycholate complex, the residues of amino acids comprise of Pro132, Pro108, Gln110, Gly109, Ile200, Asn203, Val202, His246, Pro293 and Tyr154. The binding energy was determined from the docking reads for Co(II)–6LU7, Ni(II)–6LU7 and Cu(II)–6LU7 deoxycholate compounds were found to be −446.99, −500.52, −398.13 kcal mol−1 individually.
Źródło:
Polish Journal of Chemical Technology; 2021, 23, 2; 54-59
1509-8117
1899-4741
Pojawia się w:
Polish Journal of Chemical Technology
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
In situ thermal decomposition route: Preparation and characterization of nano nickel, cobalt, and copper oxides using an aromatic amine complexes as a low-cost simple precursor
Autorzy:
Refat, Moamen S.
Mohamed, Soha F.
Altalhi, Tariq A.
Bakare, Safyah B.
Al-Hazmi, Ghaferah H.
Powiązania:
https://bibliotekanauki.pl/articles/1849310.pdf
Data publikacji:
2021
Wydawca:
Zachodniopomorski Uniwersytet Technologiczny w Szczecinie. Wydawnictwo Uczelniane ZUT w Szczecinie
Tematy:
o-tolidine
NiO
Co3O4
CuO
XRD
TEM
nanoparticles
complexation
Opis:
The main interest now is the development of metallic or inorganic-organic compounds to prepare nanoparticle materials. The use of new compounds could be beneficial and open a new method for preparing nanomaterials to control the size, shape, and size of the nanocrystals. In this article, the thermal decomposition of [M2(o-tol)2(H2O)8]Cl4 (where o-tol is ortho-tolidine compound, M = Ni2+, Co2+, Cu2+) new precursor complex was discussed in solid-state conditions. The thermal decomposition route showed that the synthesized three complexes were easily decomposed into NiO, Co3O4 and CuO nanoparticles. This decomposition was performed at low temperatures (~600°C) in atmospheric air without using any expensive and toxic solvent or complicated equipment. The obtained product was identified by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), transmission electron microscopy (TEM) and energy-dispersive X-ray spectroscopy (EDX). FT-IR, XRD and EDX analyses revealed that the NiO nanoparticles exhibit a face-centered-cubic lattice structure with a crystallite size of 9–12 nm. The formation of a highly pure spinel-type Co3O4 phase with cubic structure showed that the Co3O4 nanoparticles have a sphere-like morphology with an average size of 8–10 nm. The XRD patterns of the CuO confirmed that the monoclinic phase with the average diameter of the spherical nanoparticles was approximately 9–15 nm.
Źródło:
Polish Journal of Chemical Technology; 2021, 23, 2; 47-53
1509-8117
1899-4741
Pojawia się w:
Polish Journal of Chemical Technology
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-3 z 3

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