CNS-safe flavone analogues as dual SARS-CoV-2 inhibitors: An integrated in-silico design study

Because SARS-CoV-2 infection can provoke neurological complications, prospective antivirals must combine high viral potency with central-nervous-system (CNS) safety. Seven flavone-derived analogues (M1–M7) were therefore evaluated with a fully in-silico workflow that linked ADME filtering, ProTox-II...

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Hlavní autoři:	Oussama Khibech, Mohammed Ouachekradi, Mohammed Merzouki, Abdessamad Benabbou, Said Abadi, Yasser Karzazi, Boufelja Bouammalli, Allal Challioui
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	KeAi Communications Co., Ltd. 2026-04-01
Edice:	ChemPhysMater
Témata:	SARS-CoV-2 Docking DFT CNS-safe flavone Molecular dynamics
On-line přístup:	http://www.sciencedirect.com/science/article/pii/S2772571525000683
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