Spatial Matching Selectivity and Solution Structure of Organic–Metal Hybrid to Quadruplex–Duplex Hybrid

Autor:	You-Liang Zeng, Wenting Liu, Liu-Yi Liu, Kangnan Wang, Ming-Xuan Hou, Jing Yang, Zong-Wan Mao
Rok vydání:	2021
Předmět:	Hydrogen bond Ligand Intercalation (chemistry) Stacking Duplex (telecommunications) chemistry.chemical_element General Medicine General Chemistry Catalysis Crystallography chemistry.chemical_compound chemistry Selectivity Platinum DNA
Zdroj:	Angewandte Chemie International Edition. 60:20833-20839
ISSN:	1521-3773 1433-7851
Popis:	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 L1 Pt(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-L1 Pt(dien) complex was determined by NMR. The structure reveals that L1 Pt(dien) presents a chair-type conformation, whose large aromatic "chair surface" intercalates into the G-quadruplex-duplex interface via π-π 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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::005ab954bea33c8de72540113527b9df https://doi.org/10.1002/anie.202106256 Zobrazit plný text záznamu Plný text