Antimicrobial Activity and Molecular Docking Studies of the Biotransformation of Diterpene Acanthoic Acid Using the Fungus Xylaria sp

Biotransformations are reactions mediated by microorganisms, such as fungi. These bioreactions have high chemo- and stereoselectivity on organic substrates and can be applied in the search for new bioactive compounds. In this study, acanthoic acid (AA) was biotransformed using the fungus Xylaria sp., giving the novel compound 3 fi,7 fi-dihydroxyacanthoic acid (S1). Both the AA and the product S1 were tested against Gram-positive and Gram-negative bacteria. To identify and validate possible biological targets as enzymes or proteins involved in the activity observed in vitro, we used the molecular docking method. Hydroxylation at the C-3 and C-7 positions of the biotransformation product enhanced its activity against Escherichia coli as well as its binding affinity and interactions with superoxide dismutase 1 (SOD1; PDB ID 4A7G). Based on our results, the SOD1 enzyme was suggested to be a possible target for the antioxidant activity of product S1.

Automated summary

In this study, acanthoic acid (AA) was biotransformed using the fungus Xylaria sp., resulting in the synthesis of a novel compound 3 fi,7 fi-dihydroxyacanthoic acid (S1). The activity of S1 against Escherichia coli and its interactions with superoxide dismutase 1 (SOD1) were investigated using molecular docking. The results suggest that SOD1 enzyme could be a potential target for the antioxidant activity of S1.