期刊
NATURE PROTOCOLS
卷 9, 期 9, 页码 2147-2163出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/nprot.2014.151
关键词
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资金
- Plan Galego de Investigacion, Innovacion e Crecemento (I2C)
- European Social Fund (ESF)
- Xunta de Galicia (Spain)
- National Heart, Lung, and Blood Institute (NHLBI) [T32HL120826]
- Pharmaceutical Research and Manufacturers of America (PhRMA) Foundation Research Starter Award
- [R01 LM010016]
- [R01 LM010016-0S1]
- [R01 LM010016-0S2]
- [R01 LM008635]
Drug-drug interactions (DDIs) are a major cause of adverse drug effects and a public health concern, as they increase hospital care expenses and reduce patients' quality of life. DDI detection is, therefore, an important objective in patient safety, one whose pursuit affects drug development and pharmacovigilance. In this article, we describe a protocol applicable on a large scale to predict novel DDIs based on similarity of drug interaction candidates to drugs involved in established DDIs. The method integrates a reference standard database of known DDIs with drug similarity information extracted from different sources, such as 2D and 3D molecular structure, interaction profile, target and side-effect similarities. The method is interpretable in that it generates drug interaction candidates that are traceable to pharmacological or clinical effects. We describe a protocol with applications in patient safety and preclinical toxicity screening. The time frame to implement this protocol is 5-7 h, with additional time potentially necessary, depending on the complexity of the reference standard DDI database and the similarity measures implemented.
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