By Edgar Jacoby
Within the post-genomic period, one of many key demanding situations for drug discovery is making optimum use of the great genomic information on hand after the elucidation of the human genome and others with a view to establish powerful new medications. Addressing this problem, chemogenomics goals to spot systematically all ligands and modulators for the entire gene items expressed and permits the sped up exploration in their organic functionality. the topic brings jointly various disciplines together with chemistry, genetics, chemo- and bioinformatics, structural biology, and organic screening in phenotypic and target-based assays.This booklet uniquely integrates experiences of the most recent state-of-the-art learn via leaders within the a variety of disciplines, offering a normal, knowledge-centric review of the various chemical, organic and informatics elements. in contrast to present guides, the ebook specializes in how those disciplines have interaction successfully for the swift discovery of latest pursuits and their effector molecules concurrently. Examples of chemogenomics methods pursued in academia in addition to in biotech and pharmaceutical businesses also are supplied.
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Extra info for Chemogenomics: Knowledge-Based Approaches to Drug Discovery
G. 154 Similarly at NIBR, based on the WOMBAT ch01 FA April 1, 2006 28 15:40 WSPC/Book-329: Chemogenomics: An Emerging Strategy for Rapid Target and Drug Discovery E. Jacoby et al. OH O O O O O O O O O OH O OH O Top Targets Predicted 1. Protein Kinase C 2. Tubulin 3. Beta-Hexosaminidase Figure 7. com) based on the WOMBAT chemogenomics dataset. Probabilistic target predictions are possible for compounds given only their chemical structure. In the example shown, the WOMBAT targets were predicted for Calphostin C, a known protein kinase C inhibiting natural product.
1. 14 The ﬁrst digit speciﬁes the class of enzyme. , oxidoreductases, transferases, hydrolases, lyases, isomerases, and ligases, which are assigned to EC numbers from 1 to 6 in that particular order. The second digit speciﬁes the enzyme subclass according to a compound or group involved in the reaction being catalyzed. For example, the subclass in oxidoreductases indicates the ch02 FA April 1, 2006 42 15:40 WSPC/Book-329: Chemogenomics: An Emerging Strategy for Rapid Target and Drug Discovery J.
Es. ch02 FA 40 15:40 WSPC/Book-329: Chemogenomics: An Emerging Strategy for Rapid Target and Drug Discovery J. Mestres Diseases April 1, 2006 Ge ne s s y wa ath P ns tei o Pr M ole cu les Figure 1. The multidimensional chemogenomic space. maximize the efﬁciency of chemistry and biology resources by gaining, accumulating, and reusing family-directed knowledge. Key to this systematization of drug discovery is the adoption of annotation and classiﬁcation schemes for all biological and chemical entities.
Chemogenomics: Knowledge-Based Approaches to Drug Discovery by Edgar Jacoby