journal article·2019-10

Adsorption behavior of drugs on hydroxyapatite with different morphologies: A combined experimental and molecular dynamics simulation study

Qing Zhao, Dongqing Zhang, Ruixue Sun, Shengcong Shang, Huachun Wang, Yuyao Yang, Lian Wang, Xiaokun Liu, Tianxiang Sun, Kezheng Chen

Ceramics International· Volume 45· Issue 15
Publisher page

Abstract

Abstract Hydroxyapatite (HAp) with dual functions of focus filling and drug sustained release plays an important role in the treatment of many bone diseases. In this study, HAp with two different morphologies (hollow microsphere and nanoparticle) were fabricated by a simple hydrothermal method. Compared with the nanoparticle, the hollow microsphere of HAp exhibited higher loading efficiency and sustained release of doxorubicin for a longer time. However, for tinidazole, both nanoparticle and hollow microsphere of HAp showed low drug loading efficiency. The molecular dynamics simulation results proved that the binding energy of doxorubicin on HAp was much higher than that observed for tinidazole. The amount and activity of “O” atoms in the drug molecule affect the adsorption efficiency of drugs on HAp. Therefore, the main factors affecting the adsorption efficiency of HAp are the chemical structure of the drug itself, followed by the specific surface area and pore structure of HAp. Overall, this comprehensive study offers new insights into the understanding of drug adsorption on HAp.
Source: openaire · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Bone Tissue Engineering Materials · Bone health and osteoporosis research · Orthodontics and Dentofacial Orthopedics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (30)

Show source-provided references
1. Biological and medical significance of calcium phosphates10.1002/1521-3773(20020902)41:17<3130::AID-ANIE3130>3.0.CO;2-1 ↗
2. Synthesis of hydroxyapatite for biomedical applications10.1016/j.cis.2017.04.007 ↗
3. Synthetic hydroxyapatite in pharmaceutical applications10.1016/j.ceramint.2015.10.048 ↗
4. Calcium phosphate cements as drug delivery materials10.1016/j.addr.2012.01.008 ↗
5. Antiresorptive therapies for osteoporosis: a clinical overview10.1038/nrendo.2011.146 ↗
6. Effect of nano-structural properties of biomimetic hydroxyapatite on osteoimmunomodulation10.1016/j.biomaterials.2018.07.058 ↗
7. Calcium phosphate bone cements for local vancomycin delivery10.1016/j.msec.2014.12.075 ↗
8. Mesoporous hydroxyapatite: preparation, drug adsorption, and release properties10.1016/j.matchemphys.2014.07.024 ↗
9. Ultralong hydroxyapatite microtubes: solvothermal synthesis and application in drug loading and sustained drug release10.1039/C6CE02394K ↗
10. Hydroxyapatite nanorod-assembled porous hollow polyhedral as drug/protein carriers10.1016/j.jcis.2017.02.041 ↗
11. Hydroxyapatite nanorod-assembled hierarchical microflowers: rapid synthesis via microwave hydrothermal transformation of CaHPO4 and their application in protein/drug delivery10.1016/j.ceramint.2017.02.073 ↗
12. Biomimetic hollow mesoporous hydroxyapatite microsphere with controlled morphology, entrapment efficiency and degradability for cancer therapy10.1039/C7RA09204K ↗
13. Synthesis methods for nanosized hydroxyapatite with diverse structures10.1016/j.actbio.2013.04.012 ↗
14. Nanosheet-assembled hierarchical nanostructures of hydroxyapatite: surfactant-free microwave-hydrothermal rapid synthesis, protein/DNA adsorption and pH-controlled release10.1039/C2CE26315G ↗
15. Fabrication of hydroxyapatite hierarchical hollow microspheres and potential application in water treatment10.1021/jp211648x ↗
16. Agarose encapsulated mesoporous carbonated hydroxyapatite nanocomposites powder for drug delivery10.1016/j.jphotobiol.2016.12.005 ↗
17. Morphology control of hydroxyapatite through hydrothermal process10.1016/j.jallcom.2007.03.081 ↗
18. Hydrothermal synthesis of hydroxyapatite with different morphologies: influence of supersaturation of the reaction system10.1021/cg501063j ↗
19. Regulation of the protein-loading capacity of hydroxyapatite by mercaptosuccinic acid modification10.1016/j.actbio.2009.10.019 ↗
20. Fundamental study of hydroxyapatite high-performance liquid chromatography: III. Direct experimental confirmation of the existence of two types of adsorbing surface on the hydroxyapatite crystal10.1016/S0021-9673(01)89307-9 ↗
21. Computer simulation of biomolecule-biomaterial interactions at surfaces and interfaces10.1088/1748-6041/10/3/032001 ↗
22. Effects of atomic-level nano-structured hydroxyapatite on adsorption of bone morphogenetic protein-7 and its derived peptide by computer simulation10.1038/s41598-017-15219-6 ↗
23. Molecular dynamics simulation of protein effects on interfacial energy between HA surfaces and solutions10.1016/j.matlet.2014.02.089 ↗
24. First-principles study of the adsorption of lysine on hydroxyapatite (100) surface10.1016/j.apsusc.2012.01.116 ↗
25. Molecular dynamics simulations of adsorption and desorption of bone morphogenetic protein-2 on textured hydroxyapatite surfaces10.1016/j.actbio.2018.09.019 ↗
26. Biomimetic hydroxyapatite-drug nanocrystals as potential bone substitutes with antitumor drug delivery properties10.1002/adfm.200600361 ↗
27. Encapsulation of anticancer drug copper bis (8-hydroxyquinoline) in hydroxyapatite for pH-sensitive targeted delivery and slow release10.1016/j.msec.2016.10.010 ↗
28. Molecular simulation of protein adsorption and desorption on hydroxyapatite surfaces10.1016/j.biomaterials.2007.10.016 ↗
29. Molecular dynamics simulations on the interaction between polymers and HA with and without coupling agents10.1016/j.actbio.2008.11.014 ↗
30. Molecular dynamics simulation of hydroxyapatite-polyacrylic acid interfaces10.1016/j.polymer.2006.11.015 ↗