Thermodynamic and kinetic insights into the interactions between functionalized CdTe quantum dots and human serum albumin: A surface plasmon resonance approach
| Autor: | Hauster Maximiler Campos de Paula, Lívia Neves Santa Rosa, Yara Luiza Coelho, Cínthia das Dores Aguiar, Luis Henrique Mendes da Silva, Ana Clarissa dos Santos Pires, Luciano Sindra Virtuoso, Tiago Antônio de Oliveira Mendes |
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| Rok vydání: | 2021 |
| Předmět: |
Entropy
Kinetics Serum Albumin Human 02 engineering and technology Biochemistry Dissociation (chemistry) 03 medical and health sciences chemistry.chemical_compound Structural Biology Quantum Dots Cadmium Compounds medicine Humans Sulfhydryl Compounds Thioglycolic acid Surface plasmon resonance Molecular Biology 030304 developmental biology 0303 health sciences Chemistry General Medicine Surface Plasmon Resonance 021001 nanoscience & nanotechnology Human serum albumin Molecular Docking Simulation Quantum dot Thioglycolates Thermodynamics Physical chemistry Surface modification Tellurium 0210 nano-technology Entropy (order and disorder) medicine.drug |
| Zdroj: | International Journal of Biological Macromolecules. 184:990-999 |
| ISSN: | 0141-8130 |
| Popis: | To explore in vivo application of quantum dots (QDs), it is essential to understand the dynamics and energetics of interactions between QDs and proteins. Here, surface plasmon resonance (SPR) and molecular docking were employed to investigate the kinetics and thermodynamics of interactions between human serum albumin (HSA) and CdTe QDs (~3 nm) functionalized with mercaptopropionic acid (MPA) or thioglycolic acid (TGA). Kinetic analysis showed that HSA–QD interactions involved transition-complex formation. Despite the structural similarities between MPA and TGA, the [HSA−CdTe@TGA]‡ formation by association of free HSA and QDs demanded 70% more energy and higher entropic gain (Ea−TGA‡= 65.10 and T∆Sa−TGA‡= 28.62 kJ mol−1) than the formation of [HSA−CdTe@MPA]‡ (Ea−MPA‡ = 38.13 and T∆Sa−MPA‡ = 0.53kJ mol−1). While the [HSA−CdTe@MPA]° dissociation required higher energy and lower entropy loss (Ed−MPA‡ = 49.96 and T∆Sd−MPA‡ = − 32.18kJ mol−1) than the [HSA−CdTe@TGA]° dissociation (Ed−TGA‡= 30.78 and T∆Sd−TGA‡= − 51.12 kJ mol−1). The stability of [HSA−QDs]° was independent of the temperature and functionalizing group. However, the enthalpic and entropic components were highly affected by the substitution of MPA (ΔH° = − 11.83 and TΔS° = 32.72 kJ mol−1) with TGA (ΔH° = 34.31 and TΔS° = 79.73 kJ mol−1). Furthermore, molecular docking results indicated that the metal site on the QDs contributes to the stabilization of [HSA−QDs]°. Therefore, differences in QD functionalization and surface coverage densities can alter the HSA–QD interaction, thus their application. |
| Databáze: | OpenAIRE |
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