Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles
Chiral heterocyclic compounds are privileged structures in medicinal chemistry. Here, the authors report an in silico strategy for the enzymatic synthesis of pharmaceutically significant chiral N- and O-heterocycles via Baldwin cyclization of hydroxy- and amino-substituted epoxides and oxetanes usin...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2022-12-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-022-35468-y |
| _version_ | 1797977344329121792 |
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| author | Jun-Kuan Li Ge Qu Xu Li Yuchen Tian Chengsen Cui Fa-Guang Zhang Wuyuan Zhang Jun-An Ma Manfred T. Reetz Zhoutong Sun |
| author_facet | Jun-Kuan Li Ge Qu Xu Li Yuchen Tian Chengsen Cui Fa-Guang Zhang Wuyuan Zhang Jun-An Ma Manfred T. Reetz Zhoutong Sun |
| author_sort | Jun-Kuan Li |
| collection | DOAJ |
| description | Chiral heterocyclic compounds are privileged structures in medicinal chemistry. Here, the authors report an in silico strategy for the enzymatic synthesis of pharmaceutically significant chiral N- and O-heterocycles via Baldwin cyclization of hydroxy- and amino-substituted epoxides and oxetanes using epoxide hydrolase mutants. |
| first_indexed | 2024-04-11T05:06:29Z |
| format | Article |
| id | doaj.art-7aa8360322c843c2aeb21f8f5e69f98e |
| institution | Directory Open Access Journal |
| issn | 2041-1723 |
| language | English |
| last_indexed | 2024-04-11T05:06:29Z |
| publishDate | 2022-12-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj.art-7aa8360322c843c2aeb21f8f5e69f98e2022-12-25T12:21:01ZengNature PortfolioNature Communications2041-17232022-12-0113111110.1038/s41467-022-35468-yRational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocyclesJun-Kuan Li0Ge Qu1Xu Li2Yuchen Tian3Chengsen Cui4Fa-Guang Zhang5Wuyuan Zhang6Jun-An Ma7Manfred T. Reetz8Zhoutong Sun9Department of Chemistry, Frontiers Science Center for Synthetic Biology (Ministry of Education), Tianjin UniversityTianjin Institute of Industrial Biotechnology, Chinese Academy of SciencesTianjin Institute of Industrial Biotechnology, Chinese Academy of SciencesDepartment of Chemistry, Frontiers Science Center for Synthetic Biology (Ministry of Education), Tianjin UniversityTianjin Institute of Industrial Biotechnology, Chinese Academy of SciencesDepartment of Chemistry, Frontiers Science Center for Synthetic Biology (Ministry of Education), Tianjin UniversityTianjin Institute of Industrial Biotechnology, Chinese Academy of SciencesDepartment of Chemistry, Frontiers Science Center for Synthetic Biology (Ministry of Education), Tianjin UniversityTianjin Institute of Industrial Biotechnology, Chinese Academy of SciencesTianjin Institute of Industrial Biotechnology, Chinese Academy of SciencesChiral heterocyclic compounds are privileged structures in medicinal chemistry. Here, the authors report an in silico strategy for the enzymatic synthesis of pharmaceutically significant chiral N- and O-heterocycles via Baldwin cyclization of hydroxy- and amino-substituted epoxides and oxetanes using epoxide hydrolase mutants.https://doi.org/10.1038/s41467-022-35468-y |
| spellingShingle | Jun-Kuan Li Ge Qu Xu Li Yuchen Tian Chengsen Cui Fa-Guang Zhang Wuyuan Zhang Jun-An Ma Manfred T. Reetz Zhoutong Sun Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles Nature Communications |
| title | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles |
| title_full | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles |
| title_fullStr | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles |
| title_full_unstemmed | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles |
| title_short | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles |
| title_sort | rational enzyme design for enabling biocatalytic baldwin cyclization and asymmetric synthesis of chiral heterocycles |
| url | https://doi.org/10.1038/s41467-022-35468-y |
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