title: The Use of Gene Ontology Term and KEGG Pathway Enrichment for Analysis of Drug Half-Life.
abstract: A drug's biological half-life is defined as the time required for the human body to metabolize or eliminate 50% of the initial drug dosage. Correctly measuring the half-life of a given drug is helpful for the safe and accurate usage of the drug. In this study, we investigated which gene ontology (GO) terms and biological pathways were highly related to the determination of drug half-life. The investigated drugs, with known half-lives, were analyzed based on their enrichment scores for associated GO terms and KEGG pathways. These scores indicate which GO terms or KEGG pathways the drug targets. The feature selection method, minimum redundancy maximum relevance, was used to analyze these GO terms and KEGG pathways and to identify important GO terms and pathways, such as sodium-independent organic anion transmembrane transporter activity (GO:0015347), monoamine transmembrane transporter activity (GO:0008504), negative regulation of synaptic transmission (GO:0050805), neuroactive ligand-receptor interaction (hsa04080), serotonergic synapse (hsa04726), and linoleic acid metabolism (hsa00591), among others. This analysis confirmed our results and may show evidence for a new method in studying drug half-lives and building effective computational methods for the prediction of drug half-lives.
authors: School of Life Sciences, Shanghai University, Shanghai 200444, People's Republic of China.|Institute of Health Sciences, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031, People's Republic of China.
authors: Yu-Hang
authors: YH
authors: Zhang
authors: Institute of Biochemistry and Cell Biology, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031, People's Republic of China.
authors: Chen
authors: C
authors: Chu
authors: School of Life Sciences, Shanghai University, Shanghai 200444, People's Republic of China.
authors: Shaopeng
authors: S
authors: Wang
authors: College of Information Engineering, Shanghai Maritime University, Shanghai 201306, People's Republic of China.
authors: Lei
authors: L
authors: Chen
authors: School of Pharmacy, Key Laboratory of Molecular Pharmacology and Drug Evaluation (Yantai University), Ministry of Education, Collaborative Innovation Center of Advanced Drug Delivery System and Biotech Drugs in Universities of Shandong, Yantai University, Yantai 264005, People's Republic of China.
authors: Jing
authors: J
authors: Lu
authors: Institute of Health Sciences, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031, People's Republic of China.
authors: XiangYin
authors: X
authors: Kong
authors: Institute of Health Sciences, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031, People's Republic of China.
authors: Tao
authors: T
authors: Huang
authors: CAS Key Laboratory of Computational Biology, CAS-MPG Partner Institute for Computational Biology, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031, People's Republic of China.
authors: HaiPeng
authors: H
authors: Li
authors: School of Life Sciences, Shanghai University, Shanghai 200444, People's Republic of China.
authors: Yu-Dong
authors: http://orcid.org/0000-0001-5664-7979
authors: YD
authors: Cai
mesh_terms: D019295:Computational Biology / Q000379:methods*; D063990:Gene Ontology; D006207:Half-Life; D006801:Humans; D019787:Linoleic Acid / Q000378:metabolism; D053858:Metabolic Networks and Pathways; D027361:Organic Anion Transporters / Q000378:metabolism; D004364:Pharmaceutical Preparations / Q000378:metabolism*; D013569:Synapses / Q000378:metabolism; D009435:Synaptic Transmission / Q000235:genetics; D050493:Vesicular Monoamine Transport Proteins / Q000378:metabolism
chemical_list: D027361:Organic Anion Transporters; D004364:Pharmaceutical Preparations; D050493:Vesicular Monoamine Transport Proteins; D019787:Linoleic Acid