MOLECULAR MODELING OF 9-AMINOELLIPTICINE INTERACTIONS WITH ABASIC OLIGONUCLEOTIDES

被引:6
作者
LETELLIER, R
TAILLANDIER, E
BERTRAND, JR
MALVY, C
机构
[1] UNIV PARIS 13, UFR BIOMED BOBIGNY,SPECT BIOMOLEC LAB,CNRS, URA 1430,74 RUE MARCEL CACHIN, F-93012 BOBIGNY, FRANCE
[2] INST GUSTAVE ROUSSY, BIOCHIM ENZYMOL LAB, CNRS, UA 147, INSERM, U140, F-94805 VILLEJUIF, FRANCE
关键词
D O I
10.1080/07391102.1991.10507938
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
We have used molecular mechanics to study the insertion of the DNA intercalating agent 9-aminoellipticine (9AE) into single and double stranded abasic oligonucleotides containing abasic sites in the aldose or furanose conformations. 9AE-abasic oligonucleotide complexes have been considered with 9AE bound at abasic sites as a covalent complex, a reversible complex or a Schiff base. Results are in good agreement with experimental data available on abasic oligonucleotides (melting temperature measurement, NMR results) and allow an analysis of different possible structures for 9AE-abasic oligonucleotide complexes. Hypotheses concerning the role of 9AE-abasic site complexes in enzymatic inhibition are formulated from these data.
引用
收藏
页码:579 / 597
页数:19
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