Using DrugBank for In Silico Drug Exploration and Discovery

摘要: DrugBank is a fully curated drug and target database that contains 8174 entries including 1944 FDA approved small-molecule drugs, 198 FDA-approved biotech (protein/peptide) 93 nutraceuticals, over 6000 experimental drugs. Additionally, 4300 non-redundant protein (i.e., target/enzyme/transporter/carrier) sequences are linked to these entries. primarily focused on providing both the query/search tools biophysical data needed facilitate discovery development. This unit provides readers with detailed description of how effectively use navigate through Web site. It also specific examples find chemical homologs potential leads identify targets from newly sequenced tumor samples. The intent this give an introduction field Web-based show cheminformatics can be seamlessly integrated into bioinformatics. © 2016 by John Wiley & Sons, Inc. Keywords: database; bioinformatics; drug; chemical; drug