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In-Silico Analysis of the Binding Affinity of 1-DNJ Compound from Mulberry Plant Against Caries Causing Enzymes

Dental caries is a chronic disease and is unique among humans and is caused due to the accumulation of biofilm, which is characterized by microbial activity. Streptococcus mutans releases enzymes like SortaseA, which play an important role in the adhesion of bacteria to the tooth surface. Mulberry, a natural product has shown anti-cariogenic activity, which may be because of various compounds present in the plant extract. One such compound is 1-DNJ, an alkaloid shown to suppress S.mutans. In the last few decades, docking analysis has been used to get an insight into mechanism of action of test compounds. In the present study, we explored to analyze the in-silico interaction of 1-DNJSortaseA complex and found the compound to be effective in the inhibition of adherence of S.mutans.