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In-vitro- und In-silico-Analyse der Wechselwirkungen von Benzoxazinderivaten mit wichtigen biologischen Zielen

In-vitro- und In-silico-Analyse der Wechselwirkungen von Benzoxazinderivaten mit wichtigen biologischen Zielen

Atika Yanina / Hanane Mouada / Meriem Chebane

66,66 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2026
Materia
Química
ISBN:
9786209553684
66,66 €
IVA incluido
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Zwei Benzoxazinderivate (3a und 3b) interagieren mit biologischen Zielen, um ihre antioxidativen und krebshemmenden Wirkungen zu untersuchen. Durch die Substitution mit einem Wasserstoffatom konnte die Verbindung 3a DPPH-Radikale wirksamer hemmen als Ascorbinsäure , bei einem niedrigeren EC50-Wert. In silico Untersuchungen zeigten, dass die Verbindungen binden. spontan an die Glutathionperoxidase 7 über Wasserstoffbrückenbindungen konventionellen Bindungen, was darauf hindeutet, dass sie reaktive Sauerstoffspezies neutralisieren könnten. Die Verbindung 3a könnte in vitro eine einzelsträngige DNA-Konformation induzieren. Bindungsenergien, die den in vitro-Ergebnissen ähneln, deuteten auf spezifische und geringfügige Interaktionsmechanismen in Docking-Experimenten hin . Ein Anstieg der Extinktion bei 280 nm und eine elektrostatische Bindung der Verbindungen an BSA deuten auf ihr Potenzial hin.antikarzinogene Wirkung. Diese Ergebnisse werfen ein Licht auf die pharmakologischen Prozesse und das medizinische Potenzial von Benzoxazinderivaten.Schlüsselwörter: Benzoxazinderivate, antioxidative Aktivität, Antitumorpotenzial, DNA, BSA, Molekulares Andocken.

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