jf2c00922_si_002.xlsx (147.81 kB)
First Discovery of Novel Cytosine Derivatives Containing a Sulfonamide Moiety as Potential Antiviral Agents
datasetposted on 2022-05-16, 16:12 authored by Yuyuan Yang, Deyu Hu, Shaobo Wang, Zhijia Wang, Guangcheng Zu, Baoan Song
A series of cytosine derivatives containing a sulfonamide moiety were designed and synthesized, and their antiviral activities against pepper mild mottle virus (PMMoV) were systematically evaluated. Then, a three-dimensional quantitative structure-activity relationship (3D-QSAR) model was constructed to study the structure-activity relationship according to the pEC50 of the compounds’ protective activities. Next, compound A32 with preferable antiviral activity on PMMoV was obtained based on the CoMSIA and CoMFA models, with an EC50 of 19.5 μg/mL, which was superior to the template molecule A25 (21.3 μg/mL) and ningnanmycin (214.0 μg/mL). In addition, further studies showed that the antiviral activity of compound A32 against PMMoV was in accord with the up-regulation of proteins expressed in the defense response and carbon fixation in photosynthetic organisms. These results indicated that cytosine derivatives containing a sulfonamide moiety could be used as novel potential antiviral agents for further research and development.
cytosine derivatives containingpotential antiviral agentsa32 ba25 bsulfonamide moiety couldpreferable antiviral activitydimensional quantitative structureactivity relationship according50 subsulfonamide moietyantiviral activityactivity relationshipantiviral activitiestemplate moleculesystematically evaluatedstudies showedresults indicatedproteins expressedphotosynthetic organismsobtained basedfirst discoverydefense responsecomfa modelscarbon fixation5 μg3 μg0 μg