Nitrosubstituted analogs of isoxazolines and isoxazolidines: a surprising estimation of their biological activity via molecular docking

• Autorzy: Zawadzińska Karolina , Gostyński Bartłomiej

Identyfikatory

DOI

10.58332/scirad2023v2i1a02

• Języki publikacji: EN

Abstrakty

EN

The biological activities in the field of antimicrobial application of trihalomethylated isoxazolines and isoxazolidines were investigated by means of molecular docking. In our work, we compared these two groups of heterocyclic compounds due to their strength of non-covalent binding affinity with several exemplary proteins that are known to partake in various biological processes. The obtained results show that the investigated compounds possess higher binding affinities to selected proteins than many hitherto known and applied compounds.

Słowa kluczowe

EN

isoxazolines; isoxazolidines; molecular docking; molecular dynamics; biological activity

PL

izoksazoliny; izoksazolidyny; dokowanie molekularne; dynamika molekularna; aktywność biologiczna

• Wydawca: Radomskie Towarzystwo Naukowe
• Czasopismo: Scientiae Radices
• Rocznik: 2023
• Tom: Vol. 2, Iss. 1
• Strony: 25--46
• Opis fizyczny: Bibliogr. 37 poz., il. kolor., rys.

Twórcy

autor

Zawadzińska Karolina

• Department of Organic Chemistry and Technology, Cracow University of Technology, Warszawska 24, 31-155 Cracow, Poland

autor

Gostyński Bartłomiej

• Department of Structural Chemistry, Centre of Molecular and Macromolecular Studies Polish Academy of Sciences, Sienkiewicza 112, 90-363 Łódź, Poland

Bibliografia

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Uwagi

Opracowanie rekordu ze środków MEiN, umowa nr SONP/SP/546092/2022 w ramach programu "Społeczna odpowiedzialność nauki" - moduł: Popularyzacja nauki i promocja sportu (2022-2023).