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July 15, 2024Inorganic Chemistry

Unraveling the Mechanism of the Oxidative C–C Bond Coupling Reaction Catalyzed by Deoxypodophyllotoxin Synthase

Yanzhuang Su Wenzhen Lai

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Abstract

Deoxypodophyllotoxin synthase (DPS), a nonheme Fe(II)/2-oxoglutarate (2OG)-dependent oxygenase, is a key enzyme that is involved in the construction of the fused-ring system in (-)-podophyllotoxin biosynthesis by catalyzing the C-C coupling reaction. However, the mechanistic details of DPS-catalyzed ring formation remain unclear. Herein, our quantum mechanics/molecular mechanics (QM/MM) calculations reveal a novel mechanism that involves the recycling of CO

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Su et al. (2024) studied this question.

synapsesocial.com/papers/68e6035db6db643587596f7a https://doi.org/10.1021/acs.inorgchem.4c01263

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