Ligand Selectivity in the Recognition of Protoberberine Alkaloids by Hybrid-2 Human Telomeric G-Quadruplex: Binding Free Energy Calculation, Fluorescence Binding, and NMR Experiments

Ligand Selectivity in the Recognition of Protoberberine Alkaloids by Hybrid-2 Human Telomeric G-Quadruplex: Binding Free Energy Calculation, Fluorescence Binding, and NMR Experiments

The human telomeric G-quadruplex (G4) is an attractive target for developing anticancer drugs. Natural products protoberberine alkaloids are known to bind human telomeric G4 and inhibit telomerase. Among several structurally similar protoberberine alkaloids, epiberberine (EPI) shows the greatest spe...

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Bibliographic Details
Main Authors: Nanjie Deng, Junchao Xia, Lauren Wickstrom, Clement Lin, Kaibo Wang, Peng He, Yunting Yin, Danzhou Yang
Format: Article
Language:English
Published: MDPI AG 2019-04-01
Series:Molecules
Subjects:
G-quadruplex
protoberberine
NMR
molecular dynamics simulation
binding free energy
MM-PB(GB)SA
NMR titration
Online Access:https://www.mdpi.com/1420-3049/24/8/1574

Internet

https://www.mdpi.com/1420-3049/24/8/1574

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