ArticleScientific reports2019
Study of the binding mechanism of aptamer to palytoxin by docking and molecular simulation.
Article in Scientific reports, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed, 23 citations in OpenAlex.
- Mechanism of palytoxin-induced ferroptosis in HaCaT cells via targeting TrxR1.Cell biology and toxicology · 2026Article
- Aptamer-linked immobilized sorbent assay for detection of VP1 of foot and mouth disease virus serotype O.Scientific reports · 2026Article
- Novel Respiratory Disease Diagnosis Tool: Development of an Au-ReSSmall science · 2026Article
- Establishing Detection Methods for Okadaic Acid Aptamer-Target Interactions: Insights from Computational and Experimental Approaches.Foods (Basel, Switzerland) · 2025Article
- Elucidating the molecular docking and binding dynamics of aptamers with spike proteins across SARS-CoV-2 variants of concern.Frontiers in microbiology · 2025Article
- Review
- Selection of a novel cell-internalizing RNA aptamer specific for CD22 antigen in B cell acute lymphoblastic leukemia.Molecular therapy. Nucleic acids · 2023Article
- Screening out Biomarkers ofMolecules (Basel, Switzerland) · 2023Article
- Programmed Aptamer Screening, Characterization, and Rapid Detection for α-Conotoxin MI.Toxins · 2022Article
- Inspirations of Biomimetic Affinity Ligands: A Review.ACS omega · 2022Review
- In-Silico Selection of Aptamer Targeting SARS-CoV-2 Spike Protein.International journal of molecular sciences · 2022Article
- Structure based innovative approach to analyze aptaprobe-GPC3 complexes in hepatocellular carcinoma.Journal of nanobiotechnology · 2022Article
Corrections and comments
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Authors and funding
8 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This paper provides a feasible model for molecular structure analysis and interaction mechanism of aptamer and micromolecule. In this study, modeling and dynamic simulation of ssDNA aptamer (P-18S2) and target (Palytoxin, PTX) were performed separately. Then, the complex structure between DNA and PTX was predicted, and docking results showed that PTX could combine steadily at the groove's top of DNA model by strong hydrogen-bonds and electrostatic interaction. Thus, we truncated and optimized P-18S2 by simulating. At the same time, we also confirmed the reliability of simulation results by experiments. With the experimental and computational results, the study provided a more reasonable interpretation for the high affinity and specific binding of P-18S2 and PTX, which laid the foundation for further optimization and development of aptamers in molecular diagnostics and therapeutic applications.
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