The molecular interaction of six single-stranded DNA aptamers to cardiac troponin I revealed by docking and molecular dynamics simulation

• Published in: PLOS ONE Vol. 19; no. 5; p. e0302475
• Main Authors: Ropii, Bejo, Bethasari, Maulidwina, Anshori, Isa, Koesoema, Allya Paramita, Shalannanda, Wervyan, Satriawan, Ardianto, Setianingsih, Casi, Akbar, Mohammad Rizki, Aditama, Reza, Fahmi, Fahmi, Sutanto, Erwin, Yazid, Muhammad, Aziz, Muhammad
• Format: Journal Article
• Language: English
• Published: United States Public Library of Science (PLoS) 15.05.2024; Public Library of Science
• Subjects: Acute coronary syndromes; Antibodies; Aptamers; Aptamers, Nucleotide - chemistry; Aptamers, Nucleotide - metabolism; Biological markers; Biology and Life Sciences; Biomarkers; Boats and boating; Cardiovascular diseases; Cardiovascular research; Chemical modification; Complex formation; Deoxyribonucleic acid; Diagnosis; DNA; DNA, Single-Stranded - chemistry; DNA, Single-Stranded - metabolism; Energy; Force and energy; Genetic research; Heart attack; Heart diseases; High temperature; Humans; Hydrogen; Hydrogen Bonding; Hydrogen bonds; Hydrophobicity; Ischemia; Ligands; Medicine; Molecular docking; Molecular Docking Simulation; Molecular dynamics; Molecular Dynamics Simulation; Molecular interactions; Myocardial infarction; Nucleic acid aptamers; Physical Sciences; Protein Binding; Proteins; Q; R; Reagents; Research Article; RNA; Science; Simulation; Single-stranded DNA; Stability; Thermodynamics; Troponin I; Troponin I - chemistry; Troponin I - metabolism; Viral antibodies; Indonesia

Cardiac troponin I (cTnI) is a cardiac biomarker for diagnosing ischemic heart disease and acute myocardial infarction. Current biochemical assays use antibodies (Abs) due to their high specificity and sensitivity. However, there are some limitations, such as the high-cost production of Abs due to c...