期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 60, 期 38, 页码 20833-20839出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202106256
关键词
NMR technology; organic-metal hybrid ligand; quadruplex-duplex hybrid; solution structure; spatial matching
资金
- National Natural Science Foundation of China [21837006, 91953117, 22007103]
- Science and Technology Planning Project of Guangdong Province [2019A1515011908, 2020A1515011439]
- Fundamental Research Funds for the Central Universities (SYSU)
An organic-metal hybrid ligand was designed to selectively bind one type of QDHs with high affinity, while showing poor affinity for other QDHs and individual DNA. The solution structure of the complex was determined by NMR, revealing the binding mechanism. This work provided guidance for the spatial matching design of selectively targeting ligands to QDH structures.
The sequence-dependent DNA secondary structures possess structure polymorphism. To date, studies on regulated ligands mainly focus on individual DNA secondary topologies, while lack focus on quadruplex-duplex hybrids (QDHs). Here, we design an organic-metal hybrid ligand (LPt)-Pt-1(dien), which matches and selectively binds one type of QDHs with lateral duplex stem-loop (QLDH) with high affinity, while shows poor affinity for other QDHs and individual G4 or duplex DNA. The solution structure of QLDH MYT1L-(LPt)-Pt-1(dien) complex was determined by NMR. The structure reveals that (LPt)-Pt-1(dien) presents a chair-type conformation, whose large aromatic chair surface intercalates into the G-quadruplex-duplex interface via pi-pi stacking and backrest platinum unit interacts with duplex region through hydrogen bonding and electrostatic interactions, showing a highly matched lock-key binding mode. Our work provided guidance for spatial matching design of selectively targeting ligands to QDH structures.
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