Computational simulation to improve the activity of a heterologous feruloyl esterase secreted by Bacillus subtilis.
Feruloyl esterases (FAEs) release ferulic acid from plant cell walls but suffer from low efficiency and poor stability. A putative FAE (FAE-BSaf) from Bacillus safensis was expressed in Bacillus subtilis via a non-classical pathway, exhibiting optimal activity at 55 °C and pH 8.5. Using AlphaFold3 modeling and ΔΔG pred...