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

作者：Oussama Khibech;Mohammed Ouachekradi;Mohammed Merzouki;Abdessamad Benabbou;Said Abadi;Yasser Karzazi;Boufelja Bouammalli;Allal Challioui

作者单位：Laboratory of Applied and Environmental Chemistry(LCAE),Department of Chemistry,Faculty of Sciences,Mohammed Premier University,Oujda 60000,MoroccoLaboratory of Applied and Environmental Chemistry(LCAE),Department of Chemistry,Faculty of Sciences,Mohammed Premier University,Oujda 60000,MoroccoLaboratory of Applied and Environmental Chemistry(LCAE),Department of Chemistry,Faculty of Sciences,Mohammed Premier University,Oujda 60000,MoroccoLaboratory of Applied and Environmental Chemistry(LCAE),Department of Chemistry,Faculty of Sciences,Mohammed Premier University,Oujda 60000,MoroccoLaboratory of Physico-Chemistry of Inorganic and Organic Materials(LPCMIO),Higher Normal School,Mohammed V University,Rabat 10000,MoroccoLaboratory of Applied and Environmental Chemistry(LCAE),Department of Chemistry,Faculty of Sciences,Mohammed Premier University,Oujda 60000,MoroccoLaboratory of Applied and Environmental Chemistry(LCAE),Department of Chemistry,Faculty of Sciences,Mohammed Premier University,Oujda 60000,MoroccoLaboratory of Applied and Environmental Chemistry(LCAE),Department of Chemistry,Faculty of Sciences,Mohammed Premier University,Oujda 60000,Morocco

中文关键词：SARS-CoV-2DockingDFTCNS-safe flavoneMolecular dynamics

英文关键词：SARS-CoV-2DockingDFTCNS-safe flavoneMolecular dynamics

刊名：《化学物理材料（英文）》 2026 (2)

页码/页数：212-231,20

DOI：10.1016/j.chphma.2025.10.007