Machine-Learning-Guided Engineering of an NADH-Dependent 7β-Hydroxysteroid Dehydrogenase for Economic Synthesis of Ursodeoxycholic Acid

Wang, Mu-Qiang; You, Zhi-Neng; Yang, Bing-Yi; Xia, Zi-Wei; Chen, Qi; Pan, Jiang; Li, Chun-Xiu; Xu, Jian-He

doi:10.1021/acs.jafc.3c06339

Cited by 4 publications

(2 citation statements)

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“…Application of artificial intelligence in chemo-enzymatic synthesis The application of artificial intelligence (AI) has become a strategic trend, particularly in computer-aided design and machine learning (ML) modules, facilitating the development of chemo-enzymatic synthesis techniques. [33] AI has been applied to chemo-enzymatic synthesis, including gene, protein, pathway, and product modules (Fig. 3).…”

Section: Engineering Of Enzymesmentioning

confidence: 99%

“…[39] Using ML-guided protein engineering, researchers have created a variant of 7β-hydroxysteroid dehydrogenase (7β-HSDH) that is currently the most efficient enzyme for producing ursodesoxycholic acid from chenodeoxycholic acid, reducing production costs by 22%. [33] In addition, Luo's group has developed an Integrated Peptide and Protein Function Prediction Framework based on Fused features and Ensemble models and introduced UniKP, a powerful tool for predicting enzyme kinetic parameters. [40,41] In addition, computer-aided synthesis planning programs, such as ASKCOS, AiZynthFinder, and IBM RXN, have been used to propose synthetic routes, [42] and Mikulak-Klucznik et al have designed and validated the routes for complex natural products using Chematica computational planning.…”

Section: Engineering Of Enzymesmentioning

confidence: 99%

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Chemo-enzymatic synthesis of bioactive compounds from traditional Chinese medicine and medicinal plants

Liu,

Yang,

2024

Sci Tradit Chin Med

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The production of bioactive compounds from traditional Chinese medicine and medicinal plants mainly depends on the extraction and separation from medicinal materials, which is time-consuming, laborious, and requires large amounts of medicinal resources. As the market demand for bioactive compounds increases, the shortage of medicinal resources tops the list. For a stable and sustainable supply of affordable bioactive compounds, it is necessary to optimize chemosynthetic and biosynthetic pathways. Although some progress has been made in chemocatalysis and biosynthesis, there are drawbacks and bottlenecks in current approaches. We hold the opinion that the combination of chemosynthesis and biosynthesis will be the key direction to efficiently produce bioactive compounds. Chemo-enzymatic synthesis, a strategy that combines biosynthesis and chemosynthesis, is an alternative approach for the heterologous production of bioactive compounds. This paper reviews the recent advances in the chemo-enzymatic synthesis of bioactive compounds derived from traditional Chinese medicine and medicinal plants, highlights the potential application, and presents our perspectives for future research.

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Section: Engineering Of Enzymesmentioning

confidence: 99%