a mapping of drug space from the viewpoint of small molecule metabolism药物的映射空间从小分子代谢的角度.pdfVIP

A Mapping of Drug Space from the Viewpoint of Small Molecule Metabolism 1. 2. 3 3 4,5,6 James Corey Adams , Michael J. Keiser , Li Basuino , Henry F. Chambers , Deok-Sun Lee , Olaf G. Wiest7, Patricia C. Babbitt8,9,10* 1 Graduate Program in Pharmaceutical Sciences and Pharmacogenomics, University of California, San Francisco, California, United States of America, 2 Graduate Program in Bioinformatics, University of California, San Francisco, California, United States of America, 3 San Francisco General Hospital, University of California San Francisco, San Francisco, California, United States of America, 4 Center for Complex Network Research and Departments of Physics, Biology, and Computer Science, Northeastern University, Boston, Massachusetts, United States of America, 5 Center for Cancer Systems Biology, Dana-Farber Cancer Institute, Boston, Massachusetts, United States of America, 6 Department of Natural Medical Sciences, Inha University, Incheon, Korea, 7 Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana, United States of America, 8 Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, California, United States of America, 9 Department of Pharmaceutical Chemistry, University of California, San Francisco, California, United States of America, 10 California Institute for Quantitative Biosciences, University of California, San Francisco, California, United States of America Abstract Small molecule drugs target many core metabolic enzymes in humans and pathogens, often mimicking endogenous ligands. The effects may be therapeutic or toxic, but are frequently unexpected. A large-scale mapping of the intersection