DC pole | Wartość | Język |
dc.contributor.author | Kadela-Tomanek, Monika | - |
dc.contributor.author | Jastrzębska, Maria | - |
dc.contributor.author | Marciniec, Krzysztof | - |
dc.contributor.author | Chrobak, Elwira | - |
dc.contributor.author | Bębenek, Ewa | - |
dc.contributor.author | Boryczka, Stanisław | - |
dc.date.accessioned | 2021-06-22T09:20:08Z | - |
dc.date.available | 2021-06-22T09:20:08Z | - |
dc.date.issued | 2021 | - |
dc.identifier.citation | "Pharmaceutics" (2021), iss. 6, art. no. 781, s. 1-21 | pl_PL |
dc.identifier.issn | 1999-4923 | - |
dc.identifier.uri | http://hdl.handle.net/20.500.12128/20421 | - |
dc.description.abstract | A key parameter in the design of new active compounds is lipophilicity, which influences
the solubility and permeability through membranes. Lipophilicity affects the pharmacodynamic
and toxicological profiles of compounds. These parameters can be determined experimentally or
by using different calculation methods. The aim of the research was to determine the lipophilicity
of betulin triazole derivatives with attached 1,4-quinone using thin layer chromatography in a
reverse phase system and a computer program to calculate its theoretical model. The physiochemical
and pharmacokinetic properties were also determined by computer programs. For all obtained
parameters, the similarity analysis and multilinear regression were determined. The analyses showed
that there is a relationship between structure and properties under study. The molecular docking
study showed that betulin triazole derivatives with attached 1,4-quinone could inhibit selected
SARS-CoV-2 proteins. The MLR regression showed that there is a correlation between affinity scoring
values (DG) and the physicochemical properties of the tested compounds. | pl_PL |
dc.language.iso | en | pl_PL |
dc.rights | Uznanie autorstwa 3.0 Polska | * |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/pl/ | * |
dc.subject | 1,4-quinone | pl_PL |
dc.subject | betulin | pl_PL |
dc.subject | lipophilicity | pl_PL |
dc.subject | molecular docking | pl_PL |
dc.subject | SARS-CoV-2 proteins | pl_PL |
dc.title | Lipophilicity, pharmacokinetic properties, and molecular docking study on SARS-CoV-2 target for betulin triazole derivatives with attached 1,4- quinone | pl_PL |
dc.type | info:eu-repo/semantics/article | pl_PL |
dc.identifier.doi | 10.3390/pharmaceutics13060781 | - |
Pojawia się w kolekcji: | Artykuły (WNŚiT)
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