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Titolo:
Molecular modeling study of DNA abasic sites
Autore:
Ayadi, L; Forget, D; Martelli, A; Constant, JF; Demeunynck, M; Coulombeau, C;
Indirizzi:
Univ Grenoble 1, CNRS, LEDSS, UMR 5616, F-38041 Grenoble 9, France Univ Grenoble 1 Grenoble France 9 , UMR 5616, F-38041 Grenoble 9, France
Titolo Testata:
THEORETICAL CHEMISTRY ACCOUNTS
fascicolo: 3-4, volume: 104, anno: 2000,
pagine: 284 - 289
SICI:
1432-881X(200007)104:3-4<284:MMSODA>2.0.ZU;2-4
Fonte:
ISI
Lingua:
ENG
Soggetto:
CLEAVE APURINIC SITES; DUPLEX DNA; CONFORMATIONAL-ANALYSIS; DEOXYADENOSINE STACKS; APYRIMIDINIC SITES; UNDECAMER DUPLEX; HELIX OPPOSITE; NMR; REPAIR; OLIGODEOXYNUCLEOTIDES;
Keywords:
AP sites; DNA; molecular modeling; flexibility; curvature;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
44
Recensione:
Indirizzi per estratti:
Indirizzo: Coulombeau, C Univ Grenoble 1, CNRS, LEDSS, UMR 5616, BP 53X, F-38041 Grenoble 9, France Univ Grenoble 1 BP 53X Grenoble France 9 Grenoble 9, France
Citazione:
L. Ayadi et al., "Molecular modeling study of DNA abasic sites", THEOR CH AC, 104(3-4), 2000, pp. 284-289

Abstract

We use molecular modeling calculations to study the structure and the flexibility of abasic (AP sites) and for the design of anticancer drugs targeted against AP sites. For either adenine or cytosine on the opposing strand within the same sequence context, the results are in line with experimental data which show that the two unpaired bases lead to intrahelical forms, butwith differences in induced curvature. Results on flexibility, indicate that the two duplexes have the same bending rigidity for cytosine. In previous work a series of polyfunctional molecules, such as ATAc, were designed toselectively recognize and cleave abasic sites in DNA. The nitrobenzamide group which was added to the ATAc molecule to obtain a new molecule, termed ATAc4, can induce a second lesion under irradiation in close proximity to the abasic site. The different conformations of ATAc4 interacting with a DNAoligomer containing a stable analog of the abasic site were compared to the photoinduced cleavage pattern observed experimentally.

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Documento generato il 05/12/20 alle ore 13:46:55