2020
Pérez-Escalante, E.; González-Olivares, L.G.; Castañeda-Ovando, A.; Cruz-Guerrero, A.E.; Trant, J.F.; López-Orozco, W.; Mendoza-Huizar, L.H.; Alatorre-Santamaría, S. An In Silico Approach to Enzymatic Synthesis of Fucooligosaccharides Using ?-l-Fucosidase from Thermotoga maritima. Chem. Proc. 2021, 3, 10. https://doi.org/10.3390/ecsoc-24-08303
Abstract
Fucooligosaccharides comprise the primary group of human milk oligosaccharides. Due to their beneficial properties, a series of synthetic methods have been proposed to obtain them. Enzymatic methods show great promise, and ?-l-fucosidase from Thermotoga maritima has emerged as a powerful catalyst for their production. Nonetheless, the enzyme?s limited substrate scope has delayed its wider application. The present work aims to compare the relative reactivity of fucose, pNP-fucose, and ethyl-fucose, while also exploring the molecular interactions of these fucosyl-donors with the enzyme through a combination DFT and docking analysis. The HOMO-LUMO band gaps range from ?7.14571 to ?4.24429 eV, with ?/?-pNP-fucose and ?-fucose being the three most reactive compounds. Moderate association energies between ?6.4 to ?5.5 kcalmol?1 were found in the docking analysis, with ?-pNP-fucose and both anomers of ethyl-fucose demonstrating the poorest affinity. In the case of ?/?-lactose affinity to the ?-fucose/enzyme complex, no significant differences were shown. We conclude that the best fucosyl-donors for transfucosylation are those that maintain an enzyme affinity and reactivity similar to pNP-fucose.
CARACTERIZACIÓN FISICOQUÍMICA DEL LACTOSUERO EN EL VALLE DE TULANCINGO
The Avrami Index and the Fractal Dimension in Vegetable Oil Crystallization
EFECTO DEL EXTRACTO DE LA CEREZA EN LA REDUCCIÓN DE COLESTEROL.
CALIDAD MICROBIOLÓGICA DE PALETAS BASE AGUA Y BASE LÁCTEA ELABORADAS EN EL ESTADO DE HIDALGO, MÉXICO
Characterization of Main Anthocyanins Extracted from Pericarp Blue Corn by MALDI-ToF MS
LIBERACIÓN DE PÉPTIDOS BIOACTIVOS POR BACTERIAS LÁCTICAS EN LECHES FERMENTADAS COMERCIALES