DIO: Drug interaction ontology - Application to inferences in possible drug-drug interactions

被引:0
作者
Yoshikawa, S
Konagaya, A
机构
来源
METMBS'03: PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON MATHEMATICS AND ENGINEERING TECHNIQUES IN MEDICINE AND BIOLOGICAL SCIENCES | 2003年
关键词
pharmacological knowledgebase; ontology; symbolic representation; drug interactions; molecular functions; database;
D O I
暂无
中图分类号
R19 [保健组织与事业(卫生事业管理)];
学科分类号
摘要
We employed ontology for encoding basic information regarding drug-protein (or endogenous substances) interactions. Those are developed as Drug Interaction Ontology (DIO), by which primitive knowledge components are encoded as symbolic representations: 1) interaction orientation, 2) interaction modality, and 3) interaction effect. We also schematized consequences of theoretical combinations between two sets of drug-protein interactions in the form of symbolic representations. Those can be applied for identification and reasoning possible drug-drug interactions. Although actual drug-drug interaction events in individual body is complex and need various parameters for sophisticated predictions, this ontology is designed to reflect basic cognitive process. The knowledgebase using this ontology implemented by relational model is under development, starting drugs in cancer therapy. Example of identification of possible drug-drug interactions in case of irinotecan is presented.
引用
收藏
页码:231 / 236
页数:6
相关论文
共 14 条
[1]   BIND - a data specification for storing and describing biomolecular interactions, molecular complexes and pathways [J].
Bader, GD ;
Hogue, CWV .
BIOINFORMATICS, 2000, 16 (05) :465-477
[2]  
Haaz MC, 1998, DRUG METAB DISPOS, V26, P769
[3]  
HELDEN J, 2000, BIOL CHEM, V381, P921
[4]   The KEGG databases at GenomeNet [J].
Kanehisa, M ;
Goto, S ;
Kawashima, S ;
Nakaya, A .
NUCLEIC ACIDS RESEARCH, 2002, 30 (01) :42-46
[5]   An ontology for biological function based on molecular interactions [J].
Karp, PD .
BIOINFORMATICS, 2000, 16 (03) :269-285
[6]  
Katzung, BASIC CLIN PHARM
[7]   Modulation of irinotecan metabolism by ketoconazole [J].
Kehrer, DFS ;
Mathijssen, RHJ ;
Verweij, J ;
de Bruijn, P ;
Sparreboom, A .
JOURNAL OF CLINICAL ONCOLOGY, 2002, 20 (14) :3122-3129
[8]  
*ORG PHARM SAF RES, DRUG INF
[9]   BRENDA, enzyme data and metabolic information [J].
Schomburg, I ;
Chang, A ;
Schomburg, D .
NUCLEIC ACIDS RESEARCH, 2002, 30 (01) :47-49
[10]   An ontology for pharmaceutical ligands and its application for in silico screening and library design [J].
Schuffenhauer, A ;
Zimmermann, J ;
Stoop, R ;
van der Vyver, JJ ;
Lecchini, S ;
Jacoby, E .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2002, 42 (04) :947-955