Elucidating the Ionic Liquid-Induced Mixed Inhibition of GH1 β-Glucosidase H0HC94

B Manna, P Chanda, S Datta… - The Journal of Physical …, 2023 - ACS Publications
Deciphering the ionic liquid (IL) tolerance of glycoside hydrolases (GHs) to improve their
hydrolysis efficiency for fermentable sugar synthesis in the “one-pot” process has long been …

The effect of ionic liquid on the structure of active site pocket and catalytic activity of a β-glucosidase from Halothermothrix orenii

S Konar, SK Sinha, S Datta, PK Ghorai - Journal of Molecular Liquids, 2020 - Elsevier
Understanding the inhibition of cellulase activity in the presence of ionic liquids (IL) is
extremely important towards engineering IL tolerant enzymes for biomass saccharification …

A molecular dynamics simulations study of the ionic liquid effect on the β-glucosidase active site interactions with a flavonoid glycoside

SH Araghi, A John, MSS Googheri - Journal of Molecular Liquids, 2021 - Elsevier
Since the ionic liquid (IL) media is an appropriate environment for the enzymatic extraction
of glycosides from natural resources, a detailed molecular understanding of the effect of IL …

[HTML][HTML] Aqueous ionic liquids redistribute local enzyme stability via long-range perturbation pathways

T El Harrar, B Frieg, MD Davari, KE Jaeger… - Computational and …, 2021 - Elsevier
Ionic liquids (IL) and aqueous ionic liquids (aIL) are attractive (co–) solvents for biocatalysis
due to their unique properties. On the other hand, the incubation of enzymes in IL or aIL …

How to engineer ionic liquids resistant enzymes: Insights from combined molecular dynamics and directed evolution study

S Pramanik, GV Dhoke, KE Jaeger… - ACS Sustainable …, 2019 - ACS Publications
Ionic liquids (ILs) are widely recognized as highly attractive solvents for biocatalysis due to
their high stabilities and diverse tunable chemical properties. A major challenge for …

Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquids

KG Sprenger, JG Plaks, JL Kaar… - Physical Chemistry …, 2017 - pubs.rsc.org
For many different frameworks, the structure, function, and dynamics of an enzyme is largely
determined by the nature of its interactions with the surrounding host environment, thus a …

Molecular dynamics investigation of the ionic liquid/enzyme interface: Application to engineering enzyme surface charge

PR Burney, EM Nordwald, K Hickman… - Proteins: Structure …, 2015 - Wiley Online Library
Molecular simulations of the enzymes Candida rugosa lipase and Bos taurus α‐
chymotrypsin in aqueous ionic liquids 1‐butyl‐3‐methylimidazolium chloride and 1‐ethyl‐3 …

Understanding the conformational change and inhibition of hyperthermophilic GH10 xylanase in ionic liquid

B Manna, A Ghosh - Journal of Molecular Liquids, 2021 - Elsevier
Xylan is an abundant hemicellulosic feedstock of pentose sugars present in the
Lignocellulose biomass, offering massive potential for the generation of biofuel and …

Structures of ionic liquids dictate the conversion and selectivity of enzymatic glycerolysis: Theoretical characterization by COSMO‐RS

B Chen, Z Guo, T Tan, X Xu - Biotechnology and …, 2008 - Wiley Online Library
Lipase-catalyzed glycerolysis of triolein has been examined using a group of
tetraammonium-based ionic liquids (ILs) as media, specifically with functional groups in …

Enzyme Hydration: How to Retain Resistance in Ionic Liquids

H Cui, L Zhang, CB Yildiz, L Eltoukhy… - ACS Sustainable …, 2022 - ACS Publications
Application of ionic liquids (ILs) as media in biocatalysis has enormous potential for
synthesizing valuable compounds and bulk products in pharmaceuticals and bioenergy due …