Download e-book for iPad: Chemogenomics: Knowledge-Based Approaches to Drug Discovery by Edgar Jacoby

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By Edgar Jacoby

ISBN-10: 1860946135

ISBN-13: 9781860946134

Within the post-genomic period, one of many key demanding situations for drug discovery is making optimum use of the great genomic facts on hand after the elucidation of the human genome and others which will determine powerful new drugs. Addressing this problem, chemogenomics goals to spot systematically all ligands and modulators for all of the 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 ebook uniquely integrates experiences of the most recent state of the art examine through leaders within the quite a few disciplines, offering a common, knowledge-centric evaluation of different chemical, organic and informatics elements. in contrast to current guides, the booklet specializes in how those disciplines engage successfully for the quick discovery of latest goals and their effector molecules at the same time. Examples of chemogenomics techniques 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

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317–332. Wiley-VCH, Weinheim. 75. Oprea TI, Matter H. (2004) Integrating virtual screening in lead discovery. Curr. Opin. Chem. Biol. 8:349–358. 76. Hert J, Willett P, Wilton D, et al. (2004) Topological descriptors for similaritybased virtual screening using multiple bioactive reference structures. Org. Biomol. Chem. 2:3256–3266. ch01 FA April 1, 2006 34 15:40 WSPC/Book-329: Chemogenomics: An Emerging Strategy for Rapid Target and Drug Discovery E. Jacoby et al. 77. Schuffenhauer A, Popov M, Schopfer U, et al.

J. Med. Chem. 47:4891–4896. 104. Guba W, Roche O. (2004) Computational filters in lead generation: Targeting drug-like chemotypes. In: H Kubini, G Müller (eds), Chemogenomics in Drug Discovery — A Medicinal Chemistry Perspective, pp. 325–339. Wiley-VCH, Weinheim. 105. Jacoby E, Schuffenhauer A, Popov M, et al. (2004) Molecular informatics as an enabling in silico technology platform for drug discovery. Chimia 58: 577–584. 106. Wilkens SJ, Janes J, Su AL. (2005) HierS: Hierarchical scaffold clustering using topological chemical graphs.

119. Veber DF, Johnson SR, Cheng HY, et al. (2002) Molecular properties that influence the oral bioavailability of drug candidates. J. Med. Chem. 45: 2615–2623. 120. Lu JJ, Crimin K, Goodwin JT, et al. (2004) Influence of molecular flexibility and polar surface area metrics on oral bioavailability in the rat. J. Med. Chem. 47:6104–6107. 121. Vieth M, Siegel MG, Higgs RE, et al. (2005) Characteristic physical properties and structural fragments of marketed oral drugs. J. Med. Chem. 47:224–232. 122.

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Chemogenomics: Knowledge-Based Approaches to Drug Discovery by Edgar Jacoby


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