jf2c00922_si_002.xlsx (147.81 kB)
First Discovery of Novel Cytosine Derivatives Containing a Sulfonamide Moiety as Potential Antiviral Agents
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posted on 2022-05-16, 16:12 authored by Yuyuan Yang, Deyu Hu, Shaobo Wang, Zhijia Wang, Guangcheng Zu, Baoan SongA 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.
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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