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Mining coral-derived terpene synthases and mechanistic studies of the coral biflorane synthase

文献类型：期刊论文

作者Chen, Bao1,5; Mao, Jingjing2,6; Xu, Kangwei3; Liu, Lijun5; Lin, Wei6; Guo, Yue-Wei4,5; Wu, Ruibo3; Wang, Chengyuan2; Xu, Baofu1,5
刊名SCIENCE ADVANCES
出版日期2025-02-26
卷号11期号:9页码:14
ISSN号2375-2548
DOI10.1126/sciadv.adv0805
通讯作者Guo, Yue-Wei(bfxu@simm.ac.cn) ; Wu, Ruibo(cywang@ips.ac.cn) ; Wang, Chengyuan(wurb3@mail.sysu.edu.cn) ; Xu, Baofu(ywguo@simm.ac.cn)
英文摘要Biflorane diterpenoids are unique natural products often seen in marine animals. Recent studies have reported a small number of biflorane synthases. However, the catalytic mechanism and structural basis for biflorane formation remain unclear. To address these issues, we conducted genome mining of terpene synthases from the sea whip coral Paramuricea clavata, resulting in the discovery of a biflorane synthase PcTS1. We performed a series of isotope labeling, crystallography, quantum mechanics/molecular mechanics calculations, and mutagenesis studies toward PcTS1 to investigate the mechanism. Isotopic labeling studies, together with calculations, elucidate a cascade of 1,10-cyclization, 1,3-hydride shift, 1,6-cyclization, 1,2-hydride shift, 2,6-cyclization, cyclopropane ring opening, and deprotonation by the generated pyrophosphate, forming the biflorane scaffold. Crystallography, quantum mechanics/molecular mechanics, and mutagenesis studies confirmed the cascade and produced different terpene scaffolds. Our work demonstrated the mechanism of marine biflorane formation, elucidated the second crystal structure of a coral terpene synthase, and realized the terpene skeleton expansion.
WOS关键词MAIN-GROUP THERMOCHEMISTRY ; MOLECULAR-DYNAMICS ; BIOSYNTHETIC MECHANISM ; CYCLIZATION ; LANOSTEROL ; ENZYME ; DIPHOSPHATE ; SIMULATIONS ; KALIHINOL ; ACCURACY
资助项目National Key Research and Development Program of China[2022YFC2804100] ; Key R&D Program of Shandong Province, China[2024CXPT029] ; Taishan Scholars Program[tsqn20230623] ; Shandong Laboratory Program[SYS202205] ; Shanghai Pujiang Program[23PJ1415300] ; Shandong Provincial Natural Science Foundation[ZR2024QB357] ; Shanghai Science and Technology Innovation Action Plan 2023 Basic Research Project[23JC1404201] ; Natural Science Foundation of China[32270039] ; National Key R&D Program of China[2023YFC2308200] ; Key-Area Research and Development Program of Guangdong Province, China[2022B1111080005] ; National Natural Science Foundation of China[22407117]
WOS研究方向Science & Technology - Other Topics
语种英语
WOS记录号WOS:001432561500003
出版者AMER ASSOC ADVANCEMENT SCIENCE
源URL[http://119.78.100.183/handle/2S10ELR8/316457]  
专题中国科学院上海药物研究所
通讯作者Guo, Yue-Wei; Wu, Ruibo; Wang, Chengyuan; Xu, Baofu
作者单位1.Chinese Acad Sci, Shanghai Inst Mat Med, 555 Zu Chong Zhi Rd,Zhangjiang Hitech Pk, Shanghai 201203, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Immun & Infect, Shanghai 200031, Peoples R China
3.Sun Yat Sen Univ, Sch Pharmaceut Sci, Guangzhou 510006, Guangdong, Peoples R China
4.Shanghai Univ, Sch Med, Shanghai 200444, Peoples R China
5.Bohai Rim Adv Res Inst Drug Discovery, Shandong Lab Yantai Drug Discovery, Yantai 264117, Shandong, Peoples R China
6.Nanjing Univ Chinese Med, Nanjing Drum Tower Hosp, Sch Med, Dept Rehabil Med, Nanjing 210023, Peoples R China
推荐引用方式
GB/T 7714		 Chen, Bao,Mao, Jingjing,Xu, Kangwei,et al. Mining coral-derived terpene synthases and mechanistic studies of the coral biflorane synthase[J]. SCIENCE ADVANCES,2025,11(9):14.
APA Chen, Bao.,Mao, Jingjing.,Xu, Kangwei.,Liu, Lijun.,Lin, Wei.,...&Xu, Baofu.(2025).Mining coral-derived terpene synthases and mechanistic studies of the coral biflorane synthase.SCIENCE ADVANCES,11(9),14.
MLA Chen, Bao,et al."Mining coral-derived terpene synthases and mechanistic studies of the coral biflorane synthase".SCIENCE ADVANCES 11.9(2025):14.

入库方式： OAI收割

来源：上海药物研究所

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