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Publication
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| Title of Article |
Structural properties and stability of PNA with (2R,4R)- and (2R,4S)-prolyl-(1S,2S)-2-aminocyclopentanecarboxylic acid backbone binding to DNA: A molecular dynamics simulation study |
| Date of Acceptance |
15 October 2013 |
| Journal |
| Title of Journal |
Chemical Physics Letters |
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| Institute of Journal |
Chemical Physics Letters |
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| Year of Publication |
2013 |
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| Abstract |
The structural properties and stability of two different stereoisomers of (1S,2S)-2-aminocyclopentanecarboxylic acid (acpcPNA) binding to DNA and self hybrid DNA duplex were investigated using a molecular dynamics simulation. The thermodynamics stability was estimated and revealed that the stability of the simulated duplexes is of the order of (2R,4R)-acpcPNA•DNA > (2R,4S)-acpcPNA•DNA > DNA•DNA, which is in good agreement with experimental thermal stability. The lowest stability of DNA duplex is caused by a repulsion of two negatively charged backbones. The repulsion is decreased significantly by replacing a non-charged acpcPNA backbone, leading to a strong binding ability of acpcPNA with its complementary DNA. |
| Keyword |
Molecular dynamics simulation, Binding free energy, Peptide nucleic acid, PNA-DNA duplex, pyrrolidinyl PNA |
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| Reviewing Status |
มีผู้ประเมินอิสระ |
| Status |
ได้รับการตอบรับให้ตีพิมพ์ |
| Level of Publication |
นานาชาติ |
| citation |
true |
| Part of thesis |
true |
| Attach file |
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| Citation |
0
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Journal Publication
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