Molecular Docking study of Catechins compounds from Camellia sinensis against UPPS in Staphylococcus aureus

Anitha Parimelzanghan, Lavanya P, Anand Anbarasu, Sudha Ramaiah


Antibiotics resistant Staphylococcus aureus (S. aureus) is an emerging concern in the medical field. Due to their increasing resistance to numerous antibiotics, there is indeed essential to explore both potential targets and effective antibiotics. Therefore, we considered undecaprenyl diphosphate synthase (UPPS) as a potential target as it is an essential enzyme in cell wall biosynthesis of S. aureus. Earlier reports on these four major compounds from Camellia sinensis plant extract such as catechins (C), epicatechin (EC), epicatechin gallate (ECg) and epigallocatechin gallate (EGCg) suggested that it could be an effective antibacterial agent. Thus, we attempt to validate the antibacterial activity of these compounds against UPPS via molecular docking analysis. Interestingly, we found that epicatechin gallate (ECg) has the highest binding energy with UPPS protein by forming nine hydrogen bonds with the amino acid residues at the binding site of the receptor. Hence, our results infer that ECg from Camellia sinensis poses significant anti-bacterial activities. Thus, the aim of this study was to provide an effective antibacterial molecule and potent target which might be helpful in further modification to increase their sensitivity.

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