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PAMAM and polyester dendrimers as favipiravir nanocarriers: a comparative study using DFT method.
| Content Provider | Europe PMC |
|---|---|
| Author | Bazyari-Delavar, Sekineh Badalkhani-Khamseh, Farideh Ebrahim-Habibi, Azadeh Hadipour, Nasser L. |
| Abstract | The electronic sensitivity and reactivity of polyamidoamine (PAMAM) and polyester dendrimers toward favipiravir (T705) were inspected using density functional theory method. The T705 drug is adsorbed on the surface of PAMAM and polyester dendrimers with the binding energy of -27.26 and -26.80 kcal mol−1, respectively, in the solvent phase. The energy gap of PAMAM and polyester dendrimers reduced by about 32% and 27%, indicating that the electrical conductance of carriers become 8.16 × 1023 and 4.41 × 1022 times higher, upon T705 adsorption. The work function (Φ) value of PAMAM and polyester is changed about 1.53 and 0.71 eV, respectively. Thus, PAMAM dendrimer is about 2.5 times stronger Φ-type sensor than polyester dendrimer. The recovery time for T705 desorption from the PAMAM and polyester surface is predicted to be 9.2 × 103 and 4.2 × 103 s, respectively, at physiological environment. |
| Related Links | https://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC8526279&blobtype=pdf |
| ISSN | 13880764 |
| Journal | Journal of Nanoparticle Research [J Nanopart Res] |
| Volume Number | 23 |
| DOI | 10.1007/s11051-021-05245-x |
| PubMed Central reference number | PMC8526279 |
| Issue Number | 10 |
| PubMed reference number | 34690536 |
| e-ISSN | 1572896X |
| Language | English |
| Publisher | Springer Netherlands |
| Publisher Date | 2021-10-20 |
| Publisher Place | Dordrecht |
| Access Restriction | Open |
| Rights License | This article is made available via the PMC Open Access Subset for unrestricted research re-use and secondary analysis in any form or by any means with acknowledgement of the original source. These permissions are granted for the duration of the World Health Organization (WHO) declaration of COVID-19 as a global pandemic. © The Author(s), under exclusive licence to Springer Nature B.V. 2021 |
| Subject Keyword | PAMAM dendrimer Polyester dendrimer Favipiravir (T705) Density functional theory (DFT) Nanocarriers |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry Nanoscience and Nanotechnology Atomic and Molecular Physics, and Optics Condensed Matter Physics Materials Science Bioengineering Modeling and Simulation |
