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Binding properties of palmatine to DNA: spectroscopic and molecular modeling investigations
Author(s) -
Mi Ran,
Tu Bao,
Bai XiaoTing,
Chen Jun,
Ouyang Yu,
Hu YanJun
Publication year - 2015
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.2904
Subject(s) - palmatine , isoquinoline , chemistry , van der waals force , binding constant , hydrogen bond , dna , molecular model , berberine , binding site , molecule , stereochemistry , computational chemistry , alkaloid , biochemistry , organic chemistry
Palmatine, an isoquinoline alkaloid, is an important medicinal herbal extract with diverse pharmacological and biological properties. In this work, spectroscopic and molecular modeling approaches were employed to reveal the interaction between palmatine and DNA isolated from herring sperm. The absorption spectra and iodide quenching results indicated that groove binding was the main binding mode of palmatine to DNA. Fluorescence studies indicated that the binding constant ( K ) of palmatine and DNA was ~ 10 4 L·mol −1 . The associated thermodynamic parameters, Δ G , Δ H , and Δ S , indicated that hydrogen bonds and van der Waals forces played major roles in the interaction. The effects of chemical denaturant, thermal denaturation and pH on the interaction were investigated and provided further support for the groove binding mode. In addition to experimental approaches, molecular modeling was conducted to verify binding pattern of palmatine–DNA. Copyright © 2015 John Wiley & Sons, Ltd.