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   aniline-based inhibitors of influenza h1n1 virus acting on hemagglutinin-mediated fusion  
   
نویسنده leiva r. ,barniol-xicota m. ,codony s. ,ginex t. ,vanderlinden e. ,montes m. ,caffrey m. ,luque f.j. ,naesens l. ,vázquez s.
منبع journal of medicinal chemistry - 2018 - دوره : 61 - شماره : 1 - صفحه:98 -118
چکیده    Two series of easily accessible anilines were identified as inhibitors of influenza a virus subtype h1n1, and extensive chemical synthesis and analysis of the structure-activity relationship were performed. the compounds were shown to interfere with low ph-induced membrane fusion mediated by the h1 and h5 (group 1) hemagglutinin (ha) subtypes. a combination of virus resistance, ha interaction, and molecular dynamics simulation studies elucidated the binding site of these aniline-based influenza fusion inhibitors, which significantly overlaps with the pocket occupied by some h3 ha-specific inhibitors, indicating the high relevance of this cavity for drug design.
آدرس universitat de barcelona, facultat de farmàcia i ciències de l'alimentació, institute of biomedicine (ibub), laboratori de química farmacèutica (unitat associada al csic), spain, universitat de barcelona, facultat de farmàcia i ciències de l'alimentació, institute of biomedicine (ibub), laboratori de química farmacèutica (unitat associada al csic), spain, universitat de barcelona, facultat de farmàcia i ciències de l'alimentació, institute of biomedicine (ibub), laboratori de química farmacèutica (unitat associada al csic), spain, universitat de barcelona, faculty of pharmacy and food sciences, institute of biomedicine (ibub), department of nutrition, food science and gastronomy, spain, rega institute for medical research, belgium, universitat de barcelona, facultat de farmàcia i ciències de l'alimentació, institute of biomedicine (ibub), laboratori de química farmacèutica (unitat associada al csic), spain, university of illinois at chicago, department of biochemistry and molecular genetics, united states, universitat de barcelona, faculty of pharmacy and food sciences, institute of biomedicine (ibub), department of nutrition, food science and gastronomy, spain, rega institute for medical research, belgium, universitat de barcelona, facultat de farmàcia i ciències de l'alimentació, institute of biomedicine (ibub), laboratori de química farmacèutica (unitat associada al csic), spain
 
     
   
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