• The immobilized biocatalysts were incubated in various organic solvents for 7 days, at 25 C. The activity and enantioselectivity were assayed in the acylation reaction of 2-hexanol with vinyl acetate. (upt.ro)
  • Structure-based computational design could help to identify amino acid mutations leading to improved catalytic activity and enantioselectivity. (ward-lab.ch)
  • Gratifyingly, the new designs yielded a significant improvement in both activity and enantioselectivity (from 70% ee (WT hCA II) to up to 92% ee and a 4-fold increase in total turnover number) for the production of (S)-salsolidine. (ward-lab.ch)
  • Bäckvall, J.-E. Directed evolution and axial chirality: optimization of the enantioselectivity of Pseudomonas aeruginosa lipase towards the kinetic resolution of a racemic allene. (mpg.de)
  • Molecular docking studies were performed to investigate suitable binding modes of some new compounds with respect to the transcriptional regulator protein PqsR of Pseudomonas aeruginosa. (bvsalud.org)
  • The docking studies revealed that the compounds have affinity for the bacterial regulator protein PqsR of Pseudomonas aeruginosa with a binding energy in the range of -5.8 to -8.2 kcal/mol. (bvsalud.org)
  • In addition, one of the new compounds, 2'-amino-3'-cyano-5-methyl-2-oxo-6'-{[2-oxo-2-(p-tolylamino)ethyl]thio}-1'H-spiro-[indoline-3,4'-pyridine]-5'-carboxamide, showed in vitro moderate antibacterial effect against Pseudomonas aeruginosa and good antioxidant properties in a test with 1,1-diphenyl-2-picrylhydrazyl radical. (bvsalud.org)
  • A series of Baeyer-Villiger monooxygenases (BVMOs): phenylacetone monooxygenase (PAMO) from Thermobifida fusca , 4-hydroxyacetophenone monooxygenase (HAPMO) from Pseudomonas fluorescens ACB, cyclohexanone monooxygenase (CHMO) from Acinetobacter NCIMB 9871 and ethionamide monooxygenase (EtaA) from Mycobacterium tuberculosis , were found to oxidize alkyl aryl sulfides with high enantiomeric excess in the presence of the organorhodium complex 9 . (organic-chemistry.org)
  • Stability of lipases from Pseudomonas fluorescens (Amano AK), Burkholderia cepacia (Amano PS) and Candida antarctica B (Cal B), immobilized by sol-gel entrapment and sol-gel entrapment combined with adsorption on Celite 545, was investigated by long-term incubation in seven different solvents. (upt.ro)
  • Otte, N. Learning from directed evolution: Further lessons from theoretical investigations into cooperative mutations in lipase enantioselectivity. (mpg.de)
  • In particular, a systematic investigation of this library showed mutants that generated chiral benzyl alcohols with good enantioselectivities.To interpret these results on a structural basis, molecular dynamics simulations were used to estimate enantioselectivity of selected mutants for the regio-isomers of methylated ethylbenzene derivatives. (manchester.ac.uk)
  • We explored a protein engineering strategy using computational design to expand the substrate scope of an ( S )-selective ω-TA from Pseudomonas jessenii ( Pj TA-R6) toward the production of bulky amines. (figshare.com)
  • This shows that the substrate scope and enantioselectivity of Pj TA mutants could be predicted in silico with high accuracy. (figshare.com)
  • The results from the molecular dynamics simulations were broadly consistent with experimentally determined data and identified the importance of conformational changes and flexibility of mutant-substrate complexes to enforce enantioselectivity. (manchester.ac.uk)
  • enantioselectivity reaction and goodness similarities on dominion of Aspergillus niger, A. Carbonarius was from captivating mycotoxins in Argentina. (xn--drpverein-rahe-vpb.de)
  • By contrast, the α, β-disubstituted nitroalkene, (E) -2-nitro-1-phenylpropene, was reduced with a moderate yield of 56 % and poor enantioselectivity (16 % ee for (S) -2-nitro-1-phenylpropane). (microbiologyresearch.org)
  • X-ray structural data indicate that the high enantioselectivity results from embedding the piano stool moiety within the protein, consistent with the computational model. (ward-lab.ch)
  • StyA1 showed the highest epoxidation activity and excellent enantioselectivity in aromatic sulfoxidation. (springeropen.com)
  • The docking studies revealed that the compounds have affinity for the bacterial regulator protein PqsR of Pseudomonas aeruginosa with a binding energy in the range of -5.8 to -8.2 kcal/mol. (bvsalud.org)
  • Molecular docking studies were performed to investigate suitable binding modes of some new compounds with respect to the transcriptional regulator protein PqsR of Pseudomonas aeruginosa. (bvsalud.org)
  • The immobilized biocatalysts were incubated in various organic solvents for 7 days, at 25 C. The activity and enantioselectivity were assayed in the acylation reaction of 2-hexanol with vinyl acetate. (upt.ro)
  • The activity of the immobilized biocatalysts was not significantly altered by the tested organic solvents, while the enantioselectivity values of all immobilized enzymes were higher compared to the native ones. (upt.ro)
  • The selectivity properties of the best hybrid catalyst were then assessed in the asymmetric Heck cross‐coupling reaction between iodobenzene and 2,3‐dihydrofuran retrieving excellent results in terms of stereo‐ and enantioselectivity. (ward-lab.ch)
  • In addition, one of the new compounds, 2'-amino-3'-cyano-5-methyl-2-oxo-6'-{[2-oxo-2-(p-tolylamino)ethyl]thio}-1'H-spiro-[indoline-3,4'-pyridine]-5'-carboxamide, showed in vitro moderate antibacterial effect against Pseudomonas aeruginosa and good antioxidant properties in a test with 1,1-diphenyl-2-picrylhydrazyl radical. (bvsalud.org)