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Molecular Dynamics Simulations of a Cytochrome P450 from (P450-TT) Reveal How Its Substrate-Binding Channel Opens.
Molecules
June 2021
Department of Chemistry and Biochemistry, University of Windsor, Windsor, ON N9B3P4, Canada.
Cytochrome P450s (P450) are important enzymes in biology with useful biochemical reactions in, for instance, drug and xenobiotics metabolisms, biotechnology, and health. Recently, the crystal structure of a new member of the CYP116B family has been resolved. This enzyme is a cytochrome P450 (CYP116B46) from (P450-TT) and has potential for the oxy-functionalization of organic molecules such as fatty acids, terpenes, steroids, and statins.
View Article and Find Full Text PDFSelective Oxidation of Simple Aromatics Catalyzed by Nano-Biomimetic Metal Oxide Catalysts: A Mini Review.
Front Chem
October 2020
Institute of Chemistry, Academia Sinica, Taipei, Taiwan.
Article Synopsis
- The text discusses how selective oxy-functionalization of hydrocarbons can be achieved using reactive oxygen species generated by transition metals and peroxide.
- It highlights the role of metalloproteins, particularly Fe and Cu monooxygenases, in various oxidation mechanisms, including radical reactions and electrophilic oxygenation.
- The review also emphasizes the potential of metal oxide nano-catalysts for efficiently converting hydrocarbons to oxygenates while being easy to recycle and maintain high catalytic efficiency.
Exploring the catalytic cascade of cembranoid biosynthesis by combination of genetic engineering and molecular simulations.
Comput Struct Biotechnol J
June 2020
Werner Siemens-Chair of Synthetic Biotechnology, Department of Chemistry, Technical University of Munich, Lichtenbergstr. 4, 85748 Garching, Germany.
While chemical steps involved in bioactive cembranoid biosynthesis have been examined, the corresponding enzymatic mechanisms leading to their formation remain elusive. In the tobacco plant, a putative cembratriene-ol synthase (CBTS) initiates the catalytic cascade that lead to the biosynthesis of cembratriene-4,6-diols, which displays antibacterial- and anti-proliferative activities. We report here on structural homology models, functional studies, and mechanistic explorations of this enzyme using a combination of biosynthetic and computational methods.
View Article and Find Full Text PDFCatalytic Approaches for the Direct Heterofunctionalization of Aliphatic Carboxylic Acids and Their Equivalents with Group 16 Elements.
Chem Asian J
March 2020
Inorganic Materials and Catalysis Division Academy of Scientific and Innovative Research, CSIR-Central Salt and Marine Chemicals Research Institute G. B. Marg, Bhavnagar, 364002, Gujarat, India.
In contrast to traditional multistep synthesis, modern organic synthesis extensively depends on the direct functionalization of unactivated C-H bonds for the construction of various C-C and C-heteroatom bonds in atom- and step-economic manner. Common aliphatic substrates, e. g.
View Article and Find Full Text PDFCascade Synthesis from Cyclohexane to ϵ-Caprolactone by Visible-Light-Driven Photocatalysis Combined with Whole-Cell Biological Oxidation.
Chembiochem
July 2020
School of Food Science and Engineering, South China University of Technology, Guangzhou, 510640, P.R. China.
Cyclohexane was directly oxy-functionalised to ϵ-caprolactone through a cascade reaction sequence combining visible-light-driven photocatalysis with cyclohexanone monooxygenase (CHMO) whole-cell biocatalysis. Two available photocatalysts, Au-doped TiO (Au-TiO ) and graphitic carbonitride (g-C N ), were evaluated in the experiment and some optimisations to the cascade reaction were applied. In stepwise mode, the highest degree of conversion from cyclohexanol to ϵ-caprolactone can be up to 41 %, with use of g-C N .
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