Design, spectroscopic, and crystal structural characterization of new pyrazolone-Based Schiff bases: molecular docking investigations against SARS-Covid-19 main proteases (PDB Ids: 6LU7 and 7TLL)

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F23%3A00579006" target="_blank" >RIV/68378271:_____/23:00579006 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1080/10406638.2022.2157026" target="_blank" >https://doi.org/10.1080/10406638.2022.2157026</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1080/10406638.2022.2157026" target="_blank" >10.1080/10406638.2022.2157026</a>

Result language
angličtina
Original language name
Design, spectroscopic, and crystal structural characterization of new pyrazolone-Based Schiff bases: molecular docking investigations against SARS-Covid-19 main proteases (PDB Ids: 6LU7 and 7TLL)
Original language description
New pyrazolone-based Schiff bases were synthesized and characterized by various spectroscopic and analytical techniques such as 1H-NMR, FTIR, and UV-Vis spectroscopy and elemental analysis. Crystal structures of two of the Schiff-base (SB) compounds were obtained by single-crystal X-ray crystallography (SCXRC). Molecular docking modeling was used to study the interactions of these molecules with SARS-CoV-2 virus main proteases.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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