2015
DOI: 10.1007/s00894-015-2788-9
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A computational study of the interaction between dopamine and DNA/RNA nucleosides

Abstract: The interaction between protonated dopamine and neutral RNA and DNA nucleosides was studied by means of density functional theory calculations in vacuum and in implicit water. On the most stable complexes formed with each of the nucleosides, the vertical absorption excitation energies were evaluated and compared with the values of separated dopamine and corresponding nucleoside. The most stable complex was formed with guanosine and the spectral changes in this complex resulted in a significant reduction of the… Show more

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Cited by 5 publications
(2 citation statements)
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References 56 publications
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“…36 Many physical, chemical, and computational studies have reported Dopamine can bind to a double helical linear DNA molecule. [37][38][39] Therefore, based on the above literature reports, the properties of DNA tetrahedral nanocages as blood-brain barrier crossing nanoparticles 15,34 and their excellent drug delivery efficacy 23 and neurotherapeutic efficiencies 15,35 , we hypothesize that DNA tetrahedron can be a viable delivery system for effective delivery of Dopamine. The Dopamine-loaded DNA tetrahedron can be potential therapeutics in treating Parkinson's disease.…”
Section: Introductionmentioning
confidence: 97%
“…36 Many physical, chemical, and computational studies have reported Dopamine can bind to a double helical linear DNA molecule. [37][38][39] Therefore, based on the above literature reports, the properties of DNA tetrahedral nanocages as blood-brain barrier crossing nanoparticles 15,34 and their excellent drug delivery efficacy 23 and neurotherapeutic efficiencies 15,35 , we hypothesize that DNA tetrahedron can be a viable delivery system for effective delivery of Dopamine. The Dopamine-loaded DNA tetrahedron can be potential therapeutics in treating Parkinson's disease.…”
Section: Introductionmentioning
confidence: 97%
“…Based on this principle, we designed a cationic polycatechol, poly­( N , N′ -bis­(acryloyl)­cystamine- co -dopamine) (PBD), featuring catechol groups as the side chain. Catechol groups can bind mRNA nucleobases by hydrogen bonding interactions. ,, The dual interactions (electrostatic interaction and hydrogen bonding interaction) allow the polymer to form much denser and hydrophobic particles with mRNA against hydrolysis to reach excellent storage stability ( Q S ) (Scheme ). The disulfide bond on the main chain enables the polymer to degrade in response to glutathione (GSH) in cells and then release mRNA ( Q R ).…”
Section: Introductionmentioning
confidence: 99%