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Repurposing von Arzneimitteln zur Suche nach HIV-1-Proteaseinhibitoren

Repurposing von Arzneimitteln zur Suche nach HIV-1-Proteaseinhibitoren

Akachukwu Ibezim / Ngozi Nwodo / Raphael Onuku

44,97 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2024
Materia
Farmacología
ISBN:
9786208046651
44,97 €
IVA incluido
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Sobre IBD

Die HIV-1-Protease, ein Homodimer, hat aufgrund ihrer wesentlichen Rolle bei der HIV-Replikation und ihrer nachfolgenden funktionellen Aktivitäten das Interesse vieler Forscher auf sich gezogen. Sie hydrolysiert verschiedene virale Proteine in ihre funktionelle Form und trägt so zur Reifung des Virus bei, um die Ausbreitung der Krankheit weiter zu fördern. Der gegenwärtige Arbeitsablauf in dieser Forschung wurde entwickelt, um potenzielle HIV-1-Proteaseinhibitoren aus einer Bibliothek zugelassener Arzneimittel (1.428 Verbindungen) mit Hilfe von Computer-Aided-Drug-Design (CADD) zu identifizieren. Die hemmende Wirkung des Datensatzes wurde anhand der niedrigsten theoretischen Bindungsenergien des Ziel-Liganden-Komplexes bewertet. Software und Werkzeuge wie Molecular Operating Environment (MOE), AutoDock Vina, Discovery Studio, die in CADD verwendet werden, wurden während des Prozesses dieser Arbeit eingesetzt. Diese Studie deutet auf die Möglichkeit hin, einige aktuelle Medikamente (aus der Bibliothek) so umzugestalten, dass sie eine potenzielle Hemmwirkung auf die HIV-Protease haben.

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