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Structural modeling for DNA binding to antioxidants resveratrol, genistein and curcumin

Paper ID Volume ID Publish Year Pages File Format Full-Text
30218 44465 2015 7 PDF Available
Title
Structural modeling for DNA binding to antioxidants resveratrol, genistein and curcumin
Abstract

•Intercalative and groove binding modes were explored for polyphenol-DNA adducts.•Resveratrol and genistein form both intercalation and groove binding adducts.•Intercalation leads to more stable complexes than groove binding.•Curcumin adduct formation is only via groove binding.•Resveratrol forms more stable complexes than genistein and curcumin.

Several models are presented here for the bindings of the antioxidant polyphenols resveratrol, genistein and curcumin with DNA in aqueous solution at physiological conditions. Multiple spectroscopic methods and molecular modeling were used to locate the binding sites of these polyphenols with DNA duplex. Structural models showed that intercalation is more stable for resveratrol and genistein than groove bindings, while curcumin interaction is via DNA grooves. Docking showed more stable complexes formed with resveratrol and genistein than curcumin with the free binding energies of −4.62 for resveratrol-DNA (intercalation), −4.28 for resveratrol-DNA (groove binding), −4.54 for genistein-DNA (intercalation), −4.38 for genistein-DNA (groove binding) and −3.84 kcal/mol for curcumin-DNA (groove binding). The free binding energies show polyphenol-DNA complexation is spontaneous at room temperature. At high polyphenol concentration a major DNA aggregation occurred, while biopolymer remained in B-family structure.

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Keywords
Polyphenols; DNA; Intercalation; Stability; Conformation; Modelingres, resveratrol; gen, genistein; cur, crucumin; FTIR, Fourier transform infrared; CD, Circular dichroism
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Structural modeling for DNA binding to antioxidants resveratrol, genistein and curcumin
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Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology B: Biology - Volume 151, October 2015, Pages 69–75
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us