| Title |
2,5-Diketopiperazines: A New Class of Poly(ADP-ribose)polymerase Inhibitors
|
|---|---|
| Published in |
Biochemistry, February 2018
|
| DOI | 10.1134/s0006297918020074 |
| Pubmed ID | |
| Authors |
D. K. Nilov, K. I. Yashina, I. V. Gushchina, A. L. Zakharenko, M. V. Sukhanova, O. I. Lavrik, V. K. Švedas |
| Abstract |
We show for the first time that natural 2,5-diketopiperazines (cyclic dipeptides) can suppress the activity of the important anticancer target poly(ADP-ribose)polymerase (PARP). Cyclo(L-Ala-L-Ala) and cyclo(L-Ala-D-Ala) can interact with the key residues of the PARP-1 active site, as demonstrated using docking and molecular dynamics simulations. One of the amide groups of cyclo(L-Ala-L-Ala) and cyclo(L-Ala-D-Ala) forms hydrogen bonds with the Gly863 residue, while the second amide group can form a hydrogen bond with the catalytic residue Glu988, and the side chain can make a hydrophobic contact with Ala898. Newly identified diketopiperazine inhibitors are promising basic structures for the design of more effective inhibitors of PARP family enzymes. The piperazine core with two chiral centers provides many opportunities for structural optimization. |
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 % |
|---|---|---|
| Unknown | 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 17 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 17 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Doctoral Student | 3 | 18% |
| Other | 2 | 12% |
| Student > Bachelor | 2 | 12% |
| Student > Master | 2 | 12% |
| Researcher | 1 | 6% |
| Other | 2 | 12% |
| Unknown | 5 | 29% |
| Readers by discipline | Count | As % |
|---|---|---|
| Biochemistry, Genetics and Molecular Biology | 5 | 29% |
| Pharmacology, Toxicology and Pharmaceutical Science | 1 | 6% |
| Agricultural and Biological Sciences | 1 | 6% |
| Immunology and Microbiology | 1 | 6% |
| Chemistry | 1 | 6% |
| Other | 1 | 6% |
| Unknown | 7 | 41% |
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 06 April 2018.
All research outputs
#22,767,715
of 25,382,440 outputs
Outputs from Biochemistry
#21,450
of 22,293 outputs
Outputs of similar age
#304,464
of 343,860 outputs
Outputs of similar age from Biochemistry
#162
of 194 outputs
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