A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
The Role of Small-Angle X-Ray Scattering and Molecular Simulations in 3D Structure Elucidation of a DNA Aptamer Against Lung Cancer (2021)

Morozov, D., Mironov, V., Moryachkov, R. V., Shchugoreva, I. A., Artyushenko, P. V., Zamay, G. S., Kolovskaya, O. S., Zamay, T. N., Krat, A. V., Molodenskiy, D. S., Zabluda, V. N., Veprintsev, D. V., Sokolov, A. E., Zukov, R. A., Berezovski, M. V., Tomilin, F. N., Fedorov, D. G., Alexeev, Y., & Kichkailo, A. S. (2021). The Role of Small-Angle X-Ray Scattering and Molecular Simulations in 3D Structure Elucidation of a DNA Aptamer Against Lung Cancer. Molecular Therapy Nucleic Acids, 25, 316-327. https://doi.org/10.1016/j.omtn.2021.07.015

JYU-tekijät tai -toimittajat

Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajat: Morozov, Dmitry; Mironov, Vladimir; Moryachkov, Roman V.; Shchugoreva, Irina A.; Artyushenko, Polina V.; Zamay, Galina S.; Kolovskaya, Olga S.; Zamay, Tatiana N.; Krat, Alexey V.; Molodenskiy, Dmitry S.; et al.

Lehti tai sarja: Molecular Therapy Nucleic Acids

eISSN: 2162-2531

Julkaisuvuosi: 2021

Volyymi: 25

Artikkelin sivunumerot: 316-327

Kustantaja: Elsevier

Julkaisumaa: Yhdysvallat (USA)

Julkaisun kieli: englanti

DOI: https://doi.org/10.1016/j.omtn.2021.07.015

Julkaisun avoin saatavuus: Avoimesti saatavilla

Julkaisukanavan avoin saatavuus: Kokonaan avoin julkaisukanava

Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/77458


Aptamers are short, single-stranded DNA or RNA oligonucleotide molecules that function as synthetic analogs of antibodies and bind to a target molecule with high specificity. Aptamer affinity entirely depends on its tertiary structure and charge distribution. Therefore, length and structure optimization are essential for increasing aptamer specificity and affinity. Here we present a general optimization procedure for finding most populated atomistic structures of DNA aptamers. Based on the existed aptamer LC-18 for lung adenocarcinoma, a new truncated aptamer LC-18t was developed. A three-dimensional shape of LC-18t was reported based on small-angle X-ray scattering (SAXS) experiments and molecular modeling by fragment molecular orbital or molecular dynamic methods. Molecular simulations revealed an ensemble of possible aptamer conformations in solution that were in close agreement with measured SAXS data. The truncated aptamer LC-18t had stronger binding to cancerous cells in lung tumor tissues and shared the binding site with the original larger aptamer. The suggested approach reveals 3D shapes of aptamers and helps in designing better affinity probes.

YSO-asiasanat: nukleotidit; oligonukleotidit; vasta-aineet; immuunivaste; syöpäsolut; molekyylidynamiikka; simulointi

Liittyvät organisaatiot


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OKM-raportointi: Kyllä

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Viimeisin päivitys 2021-17-09 klo 16:28