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Interaction of p ‐benzoquinone and mitomycin C with complementary base pairs
Author(s) -
Chojnacki H.,
Sawaryn A.
Publication year - 1983
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560230242
Subject(s) - intercalation (chemistry) , chemistry , base (topology) , base pair , benzoquinone , mitomycin c , nucleic acid , computational chemistry , stereochemistry , crystallography , dna , mathematics , organic chemistry , biochemistry , medicine , mathematical analysis , surgery
Abstract Quantum chemical studies on interaction of p ‐benzoquinone and mitomycin C with complementary base pairs have been performed. The empirical potential function and semitheoretical algorithm were applied for estimation of intermolecular interaction energy. Non‐negligible intercalation of the quinone ring into fragments of nucleic acid seems to be justified. Extensive calculations on the specificity of mitomycin C intercalation were performed using AGNAS / IMNAS algorithm based on an empirical potential function. No clear preference for intercalation into any kind of base pairs was found.