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Publication
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| Title of Article |
Theoretical Study of Peptide Nucleic Acid with (2R,4R)-Prolyl-(1S,2S)-2-Aminocyclobutanecarboxylic Acid Backbone Binding to DNA and Self-Pairing |
| Date of Acceptance |
15 March 2018 |
| Journal |
| Title of Journal |
Asia-Pacific Journal of Science and Technology |
| Standard |
TCI |
| Institute of Journal |
Khon Kaen University |
| ISBN/ISSN |
2539-6293 |
| Volume |
23 |
| Issue |
2 |
| Month |
APRIL – JUNE |
| Year of Publication |
2018 |
| Page |
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| Abstract |
The binding ability of pyrrolidinyl peptide nucleic acid (PNA) binding to its complementary DNA and self-paring has been studied experimentally. However, a detailed understanding of the binding property is still unclear due to the lack of their crystallographic data. In this work, structural and energetic properties of PNA-DNA and PNA-PNA duplexes were studied using molecular dynamics (MD) simulations and quantum calculations. The studied pyrrolidinyl PNA backbone was (2R,4R)-prolyl-(1S,2S)-2-aminocyclobutanecarboxylic acid. MD simulations of three different forms (A–, B– and P–form) were performed in order to investigate the probable duplex conformation. As the results, PNA-PNA duplex exhibited the structural feature between A- and P-type conformations, while PNA-DNA double helix clearly showed the characteristic of B-form. In addition, quantum calculations revealed that the interaction of PNA-DNA duplex was larger than that of PNA-PNA duplex, indicating higher intrinsic stability of PNA-DNA compared to PNA-PNA double strand. This research may lead to a design of PNA for further applications. |
| Keyword |
Peptide nucleic acid; Molecular dynamics simulation; Quantum calculation |
| Author |
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| Reviewing Status |
มีผู้ประเมินอิสระ |
| Status |
ได้รับการตอบรับให้ตีพิมพ์ |
| Level of Publication |
ชาติ |
| citation |
false |
| Part of thesis |
true |
| ใช้สำหรับสำเร็จการศึกษา |
ไม่เป็น |
| Attach file |
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| Citation |
0
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Journal Publication
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