𝔖 Bobbio Scriptorium
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Energetics of intercalation specificity. I. Backbone unwinding

✍ Scribed by Rick L. Ornstein; Robert Rein

Book ID
102762925
Publisher
Wiley (John Wiley & Sons)
Year
1979
Tongue
English
Weight
779 KB
Volume
18
Category
Article
ISSN
0006-3525

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✦ Synopsis

Abstract

An empirical partitioned‐potential function with optimized parameters was employed to investigate the basis of intercalation specificity recently observed by experimental techniques. The nature of this specificity is discussed in terms of component interactions for all non‐truncated complementary dinucleoside triphosphate mini‐ (or miniature) helices. Our calculations agree with available evidence indicating the preference of Pyr(3′‐5′)Pur sequences over Pur(3′‐5′)Pyr sequences to change from the B‐DNA to the intercalated conformation. Base–base (stacking) and base–phosphate interactions control the specificity. The extent of net electrostatic charge on the phosphate groups play an important but limited role in establishing the observed specificity. These results should apply for the class of aromatic agents involved in nonspecific intercalation with nucleic acids but not necessarily for aromatic agents involved in specific reactions with a particular nucleotide base.

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✍ Jean-Louis Leroy; Karim Snoussi; Maurice Guéron 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 193 KB

The existence of C-H• • •O hydrogen bonds in organic and biological molecules is suggested by the observation in crystal structures of short hydrogen-to-oxygen distances (<0.27 nm) and of the approximate alignment of the C-H and H• • •O segments. However, the associated free energy is rarely known.