title: Fast screening and structural elucidation of G-quadruplex ligands from a mixture via G-quadruplex recognition and NMR methods.
abstract: Currently, there is a considerable interest in discovering G-quadruplex ligands. Plant-derived agents, because of their diversity in structure and bioactivity and low toxicity, may be a very diverse source of G-quadruplex ligands. However, up to now, the screening of G-quadruplex ligands from natural plant extract has not been reported. Herein, in order to develop a simple method for fast identifying G-quadruplex ligands from plant extract, we intended to substitute the spectral shift in the imino region (delta 10-12) in (1)H NMR spectra of G-quadruplex for in vitro bioassay to judge the existence/nonexistence of G-quadruplex ligand(s) in plant extract, and then couple G-quadruplex recognition with NMR based structure elucidation to identify the structure of the ligand(s) without the need of prior separation. In this paper, we successfully screened a G-quadruplex ligand from a simulated plant extract using this approach. This research work provides a promising tactic to find new leading compounds from nature plant extract.
authors.affiliation: Center for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing, China.
authors.forename: Qiuju
authors.initials: Q
authors.lastname: Zhou
authors.forename: Lin
authors.initials: L
authors.lastname: Li
authors.forename: Junfeng
authors.initials: J
authors.lastname: Xiang
authors.forename: Hongxia
authors.initials: H
authors.lastname: Sun
authors.forename: Yalin
authors.initials: Y
authors.lastname: Tang
mesh_terms: D000098:Acetophenones / Q000737:chemistry; D001205:Ascorbic Acid / Q000737:chemistry; D001599:Berberine / Q000737:chemistry; D002021:Buffers; D002942:Circular Dichroism; D003198:Computer Simulation; D054856:G-Quadruplexes; D006863:Hydrogen-Ion Concentration; D008024:Ligands; D015394:Molecular Structure; D009019:Morphinans / Q000737:chemistry; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D010936:Plant Extracts / Q000737:chemistry; D011522:Protons
chemical_list: D000098:Acetophenones; D002021:Buffers; D008024:Ligands; D009019:Morphinans; D010936:Plant Extracts; D011522:Protons; D001599:Berberine; C013638:paeonol; C009271:sinomenine; D001205:Ascorbic Acid