Scalable biocatalytic C–H oxyfunctionalization reactions

S Chakrabarty, Y Wang, JC Perkins… - Chemical Society …, 2020 - pubs.rsc.org
Catalytic C–H oxyfunctionalization reactions have garnered significant attention in recent
years with their ability to streamline synthetic routes toward complex molecules …

Improving and repurposing biocatalysts via directed evolution

CA Denard, H Ren, H Zhao - Current opinion in chemical biology, 2015 - Elsevier
Highlights•Directed evolution has become a proven method to engineer biocatalysts' overall
performance.•New library creation and screening approaches are at the base of directed …

Autodock vina adopts more accurate binding poses but autodock4 forms better binding affinity

NT Nguyen, TH Nguyen, TNH Pham… - Journal of Chemical …, 2019 - ACS Publications
The binding pose and affinity between a ligand and enzyme are very important pieces of
information for computer-aided drug design. In the initial stage of a drug discovery project …

Regio‐and stereoselective steroid hydroxylation at C7 by cytochrome P450 monooxygenase mutants

A Li, CG Acevedo‐Rocha, L D'Amore… - Angewandte …, 2020 - Wiley Online Library
Steroidal C7β alcohols and their respective esters have shown significant promise as
neuroprotective and anti‐inflammatory agents to treat chronic neuronal damage like stroke …

Homogeneous oxygenase catalysis

Y Liang, J Wei, X Qiu, N Jiao - Chemical reviews, 2018 - ACS Publications
Oxygenases-catalyzed reductive activation of molecular oxygen and incorporation of O
atoms into an organic molecule is undoubtedly one of the most attractive research areas …

P450-catalyzed regio-and diastereoselective steroid hydroxylation: efficient directed evolution enabled by mutability landscaping

CG Acevedo-Rocha, CG Gamble, R Lonsdale, A Li… - Acs …, 2018 - ACS Publications
Cytochrome P450 monooxygenases play a crucial role in the biosynthesis of many natural
products and in the human metabolism of numerous pharmaceuticals. This has inspired …

Enzyme-controlled nitrogen-atom transfer enables regiodivergent C–H amination

TK Hyster, CC Farwell, AR Buller… - Journal of the …, 2014 - ACS Publications
We recently demonstrated that variants of cytochrome P450BM3 (CYP102A1) catalyze the
insertion of nitrogen species into benzylic C–H bonds to form new C–N bonds. An …

The molecular basis and enzyme engineering strategies for improvement of coupling efficiency in cytochrome P450s

S Meng, Y Ji, LL Zhu, GV Dhoke, MD Davari… - Biotechnology …, 2022 - Elsevier
Cytochrome P450s are heme-thiolate enzymes that have been broadly applied in
pharmaceutical and biosynthesis because of their efficient oxidation at inert carbons …

Expanding the toolbox of organic chemists: directed evolution of P450 monooxygenases as catalysts in regio-and stereoselective oxidative hydroxylation

GD Roiban, MT Reetz - Chemical Communications, 2015 - pubs.rsc.org
Cytochrome P450 enzymes (CYPs) have been used for more than six decades as catalysts
for the CH-activating oxidative hydroxylation of organic compounds with formation of added …

Regiodivergent and Enantioselective Hydroxylation of C− H bonds by Synergistic Use of Protein Engineering and Exogenous Dual‐Functional Small Molecules

J Chen, S Dong, W Fang, Y Jiang, Z Chen… - Angewandte …, 2023 - Wiley Online Library
It is a great challenge to optionally access diverse hydroxylation products from a given
substrate bearing multiple reaction sites of sp3 and sp2 C− H bonds. Herein, we report the …