Computational Insights into Glucose Tolerance and Stimulation in a Family 1 β‑glucosidase

β-Glucosidases catalyze the hydrolysis of cellobiose to glucose during lignocellulosic biomass depolymerization. A significant limitation of many β-glucosidases is product inhibition by glucose, leading to reduced conversion efficiency. However, certain β-glucosidases exhibit tolerance or even stimu...

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Hlavní autor:	Artur H. S. Dias (21629751) (author)
Další autoři:	Munir S. Skaf (162722) (author), Rodrigo L. Silveira (162673) (author)
Vydáno:	2025
Témata:	Biophysics Biochemistry Genetics Physiology Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified trp349 side chain reduced conversion efficiency lignocellulosic biomass depolymerization improve enzyme efficiency forming direct interactions directed mutagenesis experiments considerably weaker ligand binding free energies substrate binding pocket humicola insolens </ molecular mechanisms governing glucose (− 4 cellobiose (− 12 substrate binding site mitigating product inhibition family 1 β glucosidases exhibit tolerance subsite − 1 bgl active site product inhibition active site cellobiose substrate molecular basis mechanisms underlying hi </ glucose tolerance many β glucose product certain β transglycosylation reactions thereby enabling substantial difference specifically involving spatially distant significant limitation oligosaccharide synthesis may contribute industrial applications glucosidases catalyze glucose molecules computational insights bulk solution biofuel production bgl ’ bgl surface bgl solvated bgl ). allosteric regulation 5 kcal 3 kcal
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Computational Insights into Glucose Tolerance and Stimulation in a Family 1 β‑glucosidase

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