ReviewComputational and structural biotechnology journal2021
Mechanisms of metal-dependent non-redox decarboxylases from quantum chemical calculations.
Review in Computational and structural biotechnology journal, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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8 citing papers in PubMed, 22 citations in OpenAlex.
- Electrochemical deutero-(di)carboxylations for the preparation of deuterium-labeled medicinal building blocks.Nature communications · 2025Article
- How Fungi Biosynthesize 3-Nitropropanoic Acid: The Simplest yet Lethal Mycotoxin.Organic letters · 2024Article
- The catalytic mechanism of direction-dependent interactions for 2,3-dihydroxybenzoate decarboxylase.Applied microbiology and biotechnology · 2023Article
- Enzymatic Conversion of COChemical reviews · 2023Review
- The Quantum Chemical Cluster Approach in Biocatalysis.Accounts of chemical research · 2023Review
- Reaction Mechanism of Human PAICS Elucidated by Quantum Chemical Calculations.Journal of the American Chemical Society · 2022Article
- Mechanism of DOPA radical generation and transfer in metal-free class Ie ribonucleotide reductase based on density functional theory.Computational and structural biotechnology journal · 2022Article
- Computational Study Reveals the Role of Water Molecules in the Inhibition Mechanism of LAT1 by 1,2,3-Dithiazoles.Journal of chemical information and modeling · 2021Article
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Authors and funding
2 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Quantum chemical calculations are today an extremely valuable tool for studying enzymatic reaction mechanisms. In this mini-review, we summarize our recent work on several metal-dependent decarboxylases, where we used the so-called cluster approach to decipher the details of the reaction mechanisms, including elucidation of the identity of the metal cofactors and the origins of substrate specificity. Decarboxylases are of growing potential for biocatalytic applications, as they can be used in the synthesis of novel compounds of,
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