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Characterization of the binding of paylean and DNA by fluorescence, UV spectroscopy and molecular docking techniques
Author(s) -
Zhou Huifeng,
Bi Shuyun,
Wang Yu,
Zhao Tingting
Publication year - 2016
Publication title -
luminescence
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.428
H-Index - 45
eISSN - 1522-7243
pISSN - 1522-7235
DOI - 10.1002/bio.3066
Subject(s) - chemistry , dna , van der waals force , fluorescence , binding constant , hydrogen bond , ionic strength , binding energy , quenching (fluorescence) , fluorescence spectroscopy , ionic bonding , spectroscopy , crystallography , analytical chemistry (journal) , binding site , molecule , ion , biochemistry , organic chemistry , aqueous solution , atomic physics , physics , quantum mechanics
The interaction of paylean (PL) with calf thymus DNA (ctDNA) was investigated using fluorescence spectroscopy, UV absorption, melting studies, ionic strength, viscosity experiments and molecular docking under simulated physiological conditions. Values for the binding constant K a between PL and DNA were 5.11 × 10 3 , 2.74 × 10 3 and 1.74 × 10 3 L mol –1 at 19, 29 and 39°C respectively. DNA quenched the intrinsic fluorescence of PL via a static quenching procedure as shown from Stern–Volmer plots. The relative viscosity and the melting temperature of DNA were basically unchanged in the presence of PL. The fluorescence intensity of PL–DNA decreased with increasing ionic strength. The value of K a for PL with double‐stranded DNA (dsDNA) was larger than that for PL with single‐stranded DNA (ssDNA). All the results revealed that the binding mode was groove binding, and molecular docking further indicated that PL was preferentially bonded to A–T‐rich regions of DNA. The values for Δ H , Δ S and Δ G suggested that van der Waals forces or hydrogen bonding might be the main acting forces between PL and DNA. The binding distance was determined to be 3.37 nm based on the theory of Förster energy transference, which indicated that a non‐radiation energy transfer process occurred. Copyright © 2015 John Wiley & Sons, Ltd.