| Title |
Molecular docking studies of curcumin natural derivatives with DNA topoisomerase I and II-DNA complexes
|
|---|---|
| Published in |
Interdisciplinary Sciences: Computational Life Sciences, August 2014
|
| DOI | 10.1007/s12539-012-0048-6 |
| Pubmed ID | |
| Authors |
Anil Kumar, Utpal Bora |
| Abstract |
DNA topoisomerase I (topo I) and II (topo II) are essential enzymes that solve the topological problems of DNA by allowing DNA strands or double helices to pass through each other during cellular processes such as replication, transcription, recombination, and chromatin remodeling. Their critical roles make topoisomerases an attractive drug target against cancer. The present molecular docking study provides insights into the inhibition of topo I and II by curcumin natural derivatives. The binding modes suggested that curcumin natural derivatives docked at the site of DNA cleavage parallel to the axis of DNA base pairing. Cyclocurcumin and curcumin sulphate were predicted to be the most potent inhibitors amongst all the curcumin natural derivatives docked. The binding modes of cyclocurcumin and curcumin sulphate were similar to known inhibitors of topo I and II. Residues like Arg364, Asn722 and base A113 (when docked to topo I-DNA complex) and residues Asp479, Gln778 and base T9 (when docked to topo II-DNA complex) seem to play important role in the binding of curcumin natural derivatives at the site of DNA cleavage. |
X Demographics
The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| France | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 43 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 43 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 5 | 12% |
| Student > Master | 4 | 9% |
| Researcher | 4 | 9% |
| Student > Bachelor | 4 | 9% |
| Student > Doctoral Student | 4 | 9% |
| Other | 10 | 23% |
| Unknown | 12 | 28% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 16 | 37% |
| Pharmacology, Toxicology and Pharmaceutical Science | 5 | 12% |
| Biochemistry, Genetics and Molecular Biology | 2 | 5% |
| Agricultural and Biological Sciences | 2 | 5% |
| Unspecified | 1 | 2% |
| Other | 3 | 7% |
| Unknown | 14 | 33% |
Attention Score in Context
This research output has an Altmetric Attention Score of 1. 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 15 August 2014.
All research outputs
#20,234,388
of 22,760,687 outputs
Outputs from Interdisciplinary Sciences: Computational Life Sciences
#206
of 294 outputs
Outputs of similar age
#193,891
of 230,541 outputs
Outputs of similar age from Interdisciplinary Sciences: Computational Life Sciences
#5
of 8 outputs
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