| Title |
α-Cyclodextrin dimer complexes of dopamine and levodopa derivatives to assess drug delivery to the central nervous system: ADME and molecular docking studies
|
|---|---|
| Published in |
International Journal of Nanomedicine, June 2012
|
| DOI | 10.2147/ijn.s31373 |
| Pubmed ID | |
| Authors |
Sergey Shityakov |
| Abstract |
This paper attempts to predict and emphasize molecular interactions of dopamine, levodopa, and their derivatives (Dopimid compounds) containing 2-phenyl-imidazopyridine moiety with the α-cyclodextrin dimer in order to assess and improve drug delivery to the central nervous system. The molecular docking method is used to determine the energetic profiles, hydrogen bond formation, and hydrophobic effect of 14 host-guest complexes. The results show that the "chemical branching" represented by additional ethyl-acetate residue is energetically unfavorable and promotes a conformational shift due to the high root mean square deviation levels. This phenomenon is characterized by a low number of H-bonds and a significant decrease of the host-guest hydrophobic potential surface. Finally, the overall docking procedure presents a powerful rationale for screening and analyzing various sets of promising drug-like chemical compounds in the fields of supramolecular chemistry, molecular sensing, synthetic receptors, and nanobiotechnology. |
Twitter Demographics
The data shown below were collected from the profile of 1 tweeter who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Germany | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 33 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Turkey | 1 | 3% |
| Italy | 1 | 3% |
| Unknown | 31 | 94% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 13 | 39% |
| Researcher | 4 | 12% |
| Student > Bachelor | 3 | 9% |
| Other | 2 | 6% |
| Lecturer > Senior Lecturer | 2 | 6% |
| Other | 6 | 18% |
| Unknown | 3 | 9% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 8 | 24% |
| Agricultural and Biological Sciences | 4 | 12% |
| Pharmacology, Toxicology and Pharmaceutical Science | 3 | 9% |
| Biochemistry, Genetics and Molecular Biology | 3 | 9% |
| Engineering | 2 | 6% |
| Other | 8 | 24% |
| Unknown | 5 | 15% |
Attention Score in Context
This research output has an Altmetric Attention Score of 4. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 12 February 2019.
All research outputs
#6,411,787
of 22,780,967 outputs
Outputs from International Journal of Nanomedicine
#682
of 3,811 outputs
Outputs of similar age
#45,066
of 165,448 outputs
Outputs of similar age from International Journal of Nanomedicine
#20
of 97 outputs
Altmetric has tracked 22,780,967 research outputs across all sources so far. This one has received more attention than most of these and is in the 70th percentile.
So far Altmetric has tracked 3,811 research outputs from this source. They receive a mean Attention Score of 4.3. This one has done well, scoring higher than 80% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 165,448 tracked outputs that were published within six weeks on either side of this one in any source. This one has gotten more attention than average, scoring higher than 71% of its contemporaries.
We're also able to compare this research output to 97 others from the same source and published within six weeks on either side of this one. This one has done well, scoring higher than 79% of its contemporaries.