Computation‐Guided Design of a Stimulus‐Responsive Multienzyme Supramolecular Assembly
Sign Up to like & getrecommendations! Published in 2017 at "ChemBioChem"
DOI: 10.1002/cbic.201700425
Abstract: The construction of stimulus-responsive supramolecular complexes of metabolic pathway enzymes, inspired by natural multienzyme assemblies (metabolons), provides an attractive avenue for efficient and spatiotemporally controllable one-pot biotransformations. We have constructed a phosphorylation- and optically responsive… read more here.
Keywords: stimulus; guided design; computation guided; multienzyme ... See more keywords
Computation-Guided Rational Design of Cysteine-Less Protein Variants in Engineered hCGL.
Sign Up to like & getrecommendations! Published in 2024 at "Journal of agricultural and food chemistry"
DOI: 10.1021/acs.jafc.3c06821
Abstract: The engineered human cystathionine-γ-lyase (hCGL) resulting in enhanced activity toward both cysteine and cystine unveils a potential robust antitumor activity. However, the presence of cysteine residues has the potential to induce oligomerization or incorrect disulfide… read more here.
Keywords: computation guided; cysteine; design; guided rational ... See more keywords
Computation-Guided Discovery of Diazole Monosubstituted Tetrazines as Optimal Bioorthogonal Tools.
Sign Up to like & getrecommendations! Published in 2024 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.4c07958
Abstract: Monosubstituted tetrazines are important bioorthogonal reactive tools due to their rapid ligation with trans-cyclooctene. However, their application is limited by the reactivity-stability paradox in biological environments. In this study, we demonstrated that steric effects are… read more here.
Keywords: computation guided; guided discovery; trans cyclooctene; monosubstituted tetrazines ... See more keywords
Computation-guided asymmetric total syntheses of resveratrol dimers
Sign Up to like & getrecommendations! Published in 2022 at "Nature Communications"
DOI: 10.1038/s41467-021-27546-4
Abstract: Although computational simulation-based natural product syntheses are in their initial stages of development, this concept can potentially become an indispensable resource in the field of organic synthesis. Herein we report the asymmetric total syntheses of… read more here.
Keywords: total syntheses; resveratrol dimers; computational simulation; asymmetric total ... See more keywords