5cdb

Structure of the complex of a bimolecular human telomeric DNA with a 13-diphenylalkyl Berberine derivative

spinqualitylabelsall models 5cdb, resolution 1.70Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5cdb is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.7Å Ligands: 50B, K Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed The interaction between 13-phenylalkyl and 13-diphenylalkyl berberine derivatives (NAX) and human telomeric DNA G4 structures has been investigated by both spectroscopic and crystallographic methods. NAX042 and NAX053 are the best compounds improving the performance of the natural precursor berberine. This finding is in agreement with the X-ray diffraction result for the NAX053-Tel12 adduct, showing the ligand which interacts via pi-stacking, sandwiched at the interface of two symmetry-related quadruplex units, with its benzhydryl group contributing to the overall stability of the adduct by means of additional pi-stacking interactions with the DNA residues. The berberine derivatives were also investigated for their cytotoxic activity towards a panel of human cancer cell lines. Compounds NAX042 and NAX053 affect the viability of cancer cell lines in a dose-dependent manner. Solution and Solid-State Analysis of Binding of 13-Substituted Berberine Analogues to Human Telomeric G-quadruplexes.,Ferraroni M, Bazzicalupi C, Papi F, Fiorillo G, Guaman-Ortiz LM, Nocentini A, Scovassi AI, Lombardi P, Gratteri P Chem Asian J. 2016 Apr 5;11(7):1107-15. doi: 10.1002/asia.201600116. Epub 2016, Mar 11. PMID:26865223 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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