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Computational analysis of triplex formation of oligonucleotides:protonated and 5-methylated py-pu-py motif
A triple helix composed of three dodecanucleotides,5’-d(TC)6,5-(AG)6 and 3’-d(TC)6 with each containing a methylcytosme or a protonated-cylosine,was examined in terms of various interactions Computational malvsis of the stability of triplex formation was consistent with the experimental observations...
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Published in: | Science China. Chemistry 1997-04, Vol.40 (2), p.113-121 |
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description | A triple helix composed of three dodecanucleotides,5’-d(TC)6,5-(AG)6 and 3’-d(TC)6 with each containing a methylcytosme or a protonated-cylosine,was examined in terms of various interactions Computational malvsis of the stability of triplex formation was consistent with the experimental observations.The Hoogsleen hase among interaction was increased through substitution of 5-methylcytosme for cytosme and/or protonation The inter-woon between water molecules and DNA triplex was visualized in terms,of the end-to-end distance change of each trand The chain length was reduced by about 7 5%-16 2% due to the screening effect In addition,as the screening fleer nerenises,Hoogsteen base pairs appear to be stable in triplex formation.Our computational results also show this the effect of protonated- and methylated cytosme on the stability of triplex formation was due to the change of the beerostanis mteractions rather than the surface stacking interaction |
doi_str_mv | 10.1007/BF02876401 |
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subjects | analysis computational DNA effect Oligonucleotides Protonation Screening stability Stability analysis triplex |
title | Computational analysis of triplex formation of oligonucleotides:protonated and 5-methylated py-pu-py motif |
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