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DNA Minor Groove Binding of Small Molecules: Experimental and Computational Evidence.

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Title DNA Minor Groove Binding of Small Molecules: Experimental and Computational Evidence.
 
Creator Pandya, Prateek
Islamz, Md.Maidul
Kumar, G Suresh
B, Jayaram
Kumar, Surat
 
Subject Chemistry
 
Description Eight indole derivatives were studied for their DNA binding ability using fluorescence
quenching and molecular docking methods. These indole compounds have structural moieties similar as
in few indole alkaloids. Experimental and theoretical studies have suggested that indole derivatives bind
in the minor groove of DNA. Thermodynamic profiles of DNA complexes of indole derivatives were
obtained from computational methods. The complexes were largely stabilized by H-bonding and van der
Waal’s forces with positive entropy values. Indole derivatives were found to possess some Purine (Pu) –
Pyrimidine (Py) specificity with DNA sequences. The results obtained from experimental and computational
methods showed good agreement with each other, supported by their correlation constant values.
 
Date 2010
 
Type Article
PeerReviewed
 
Format application/pdf
 
Identifier http://www.eprints.iicb.res.in/52/1/JOURNAL_OF_CHEMICAL_SCIENCES__122(_2);2010[112].pdf
Pandya, Prateek and Islamz, Md.Maidul and Kumar, G Suresh and B, Jayaram and Kumar, Surat (2010) DNA Minor Groove Binding of Small Molecules: Experimental and Computational Evidence. Journal of Chemical Science, 122 (2). pp. 247-257.
 
Relation http://dx.doi.org/10.1007/s12039-010-0029-4
http://www.eprints.iicb.res.in/52/