How enzymes can remain active and stable in a compressed gas? New insights into the conformational stability of Candida antarctica lipase B in near-critical propane

Activity of immobilized lipase from Candida antarctica (Lipozyme 435) and its performance on the esterification of oleic acid in supercritical carbon dioxide

“…The results obtained in this work are consistent with data reported by other authors [11,14,31,32]. According to Monhemi e Housaindokht [33], supercritical CO 2 causes irreversible changes in the structure of enzymes, resulting in their inactivation. Furthermore, the decrease of the lipase activity treated with supercritical CO 2 has been related to the interactions between enzyme and solvent, which lead to the formation of covalent complexes with the free amino groups forming carbamates on the enzyme surface [14,34,35].…”

“…Therefore, observing the behavior of ∆G # and ∆E # and comparing them with literature data, it can be stated that the immobilized lipase treated with SC-CO 2 in this work is less stable than those obtained by other works with lipases [25,44,45]. This instability was described by many researches through molecular dynamic simulation [33,38,46,47].…”

The open lid conformation of the lipase is explored in the compressed gas: New insights from molecular dynamic simulation

“…We also recently investigated the conformational stability of CALB in compressed propane and found that the enzyme is stable in this solvent [25]. Here the results of rmsd also showed that the structural deviations of BCL are comparable to those obtained in aqueous solution.…”

“…How lipases are activated and stabilized in compressed propane yet has remained an important question. Recently we applied the molecular dynamic (MD) simulation to investigate the conformational stability of Candida antarctica lipase B (CALB) in near-critical propane and found that the enzyme has native and stable conformation in this compressed gas [25]. But the reasons for high activity of lipases in this fluid are not well understood.…”

How Can a Free Amino Acid Stabilize a Protein? Insights from Molecular Dynamics Simulation

“…Molecular dynamics (MD) simulation is a very useful method for examining the effects of solvent environment on protein structure and dynamics [8,9]. The present work has been undertaken to shed some light at the molecular level of details on the mechanism of protein osmprotection by amino acids, which involve using molecular dynamics (MD) simulation.…”