Details

Autor(en) / Beteiligte

• Cao, Dong-Sheng
• Liang, Yi-Zeng
• Deng, Zhe
• Hu, Qian-Nan
• He, Min
• Xu, Qing-Song
• Zhou, Guang-Hua
• Zhang, Liu-Xia
• Deng, Zi-xin
• Liu, Shao
• Tramontano, Anna

Titel

Genome-scale screening of drug-target associations relevant to Ki using a chemogenomics approach

Ist Teil von

• PloS one, 2013-04, Vol.8 (4), p.e57680

Ort / Verlag

United States: Public Library of Science

Erscheinungsjahr

2013

Quelle

Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals

Beschreibungen/Notizen

• The identification of interactions between drugs and target proteins plays a key role in genomic drug discovery. In the present study, the quantitative binding affinities of drug-target pairs are differentiated as a measurement to define whether a drug interacts with a protein or not, and then a chemogenomics framework using an unbiased set of general integrated features and random forest (RF) is employed to construct a predictive model which can accurately classify drug-target pairs. The predictability of the model is further investigated and validated by several independent validation sets. The built model is used to predict drug-target associations, some of which were confirmed by comparing experimental data from public biological resources. A drug-target interaction network with high confidence drug-target pairs was also reconstructed. This network provides further insight for the action of drugs and targets. Finally, a web-based server called PreDPI-Ki was developed to predict drug-target interactions for drug discovery. In addition to providing a high-confidence list of drug-target associations for subsequent experimental investigation guidance, these results also contribute to the understanding of drug-target interactions. We can also see that quantitative information of drug-target associations could greatly promote the development of more accurate models. The PreDPI-Ki server is freely available via: http://sdd.whu.edu.cn/dpiki.