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Study on the interaction of the drug mesalamine with calf thymus DNA using molecular docking and spectroscopic techniques

Paper ID Volume ID Publish Year Pages File Format Full-Text
30462 44480 2013 7 PDF Available
Title
Study on the interaction of the drug mesalamine with calf thymus DNA using molecular docking and spectroscopic techniques
Abstract

•This study was performed to reposition drugs approved for other indications as anticancer agents.•The 5-ASA molecule binds with the minor groove of the duplex CT-DNA (GC region).•Several spectroscopic techniques have been used in this research.

The interaction of CT-DNA with the drug mesalamine (5-ASA) at physiological pH has been investigated by absorption, emission, circular dichroism (CD), cyclic voltammetry (CV), viscosity studies and molecular modeling. Thermodynamic parameters (ΔH > 0 and ΔS < 0) indicated that hydrogen bond and van der Waals play main roles in the binding of 5-ASA to CT-DNA. Ethidium bromide (EB) displacement studies revealed that 5-ASA did not have any effect on ethidium bromide (EB) bound DNA which is indicative of groove binding. The results obtained from experimental and molecular modeling showed that 5-ASA is a minor groove binder of DNA and preferentially binds to GC rich regions.

Graphical abstractThe interaction of CT-DNA with the drug mesalamine has been investigated. The results showed that this drug is a minor groove binder of DNA and preferentially binds to GC rich regions.Figure optionsDownload full-size imageDownload as PowerPoint slide

Keywords
Mesalamine; CT-DNA; Groove binding; Molecular docking
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Study on the interaction of the drug mesalamine with calf thymus DNA using molecular docking and spectroscopic techniques
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Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology B: Biology - Volume 128, 5 November 2013, Pages 20–26
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