Computergestützte Untersuchung von Chinolin-4-Carbonsäure und Anwendung
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Wir haben Molekulares Docking, ADME-Tox, Molekulardynamik und Pharmakophor-Studie durchgeführt. Die biologische Aktivität und die molekulare Docking-Studie wurden für die potenten Moleküle korreliert.
In dieser Studie wurden die aktiven Bindungsstellen der Analoga vorgeschlagen, um einen optimalen Mechanismus in der In-silico-Seite zu finden. Dann wurde für das aktivste Molekül 8g eine Molekulardynamikstudie durchgeführt.
Dieser Artikel kommt zu dem Schluss, dass die Analoga 8d, 8g und 8k eine vielversprechende Spur für die neue Entwicklung von Malariatherapeutika darstellen. .
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