Chemogenomics in Drug Discovery: A Medicinal Chemistry by Hugo Kubinyi, Gerhard Müller, Raimund Mannhold, Gerd Folkers

By Hugo Kubinyi, Gerhard Müller, Raimund Mannhold, Gerd Folkers

Chemogenomics brings jointly the main strong suggestions in glossy chemistry and biology, linking combinatorial chemistry with genomics and proteomics.The first reference dedicated to the subject, this up to date source covers all phases of the early drug discovery strategy, from goal choice to compound library and lead design.With the mixed services of 20 examine teams from academia and from top pharmaceutical businesses, this booklet is a must have for each drug developer and medicinal chemist utilizing the strong equipment of chemogenomics to hurry up the drug discovery method.

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Additional resources for Chemogenomics in Drug Discovery: A Medicinal Chemistry Perspective (Methods and Principles in Medicinal Chemistry)

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Although in the previous case studies the convergent pharmacophore could be ascribed to a target similarity and a common binding event to exactly the same enzyme, in the following example common co-substrates serve as the cross-relating entities defining common pharmacophoric patterns and associated chemistries among different targets. The enzymes of interest in these studies are carbohydrate sulfotransferases as potential anti-inflammatory targets [67, 68] that catalyze the transfer of a sulfuryl group from the sulfate donor 3′-phosphoadenosine-5′ phosphosulfate (PAPS) to a hydroxy or amino group of an acceptor saccharide.

R-groups are depicted at positions of combinatorial variations [45]. appropriate orientational characteristics for peripheral groups that contain the pharmacophoric elements required for target binding. , details of family-wide conserved ligand recognition principles or improving lead- or drug-like properties of the library constituents. 5 Privileged Structures with Undesired Target Profiles The most generic definition of a privileged structure refers to substructural elements emerging in compounds that showed effects on more than one target protein [41], irrespective of the corresponding target families they might belong to.

Inhibitory capabilities, mechanism of action, and even binding modes of whole series of compounds against dozens of members of a distinct enzyme family occur more frequently only in the recent literature, giving first indications of a paradigm change in the way we pursue lead finding and optimization under a chemogenomics perspective [37–39]. From a molecular design point of view, a precious knowledge base including target structure, mechanism, and viable medicinal chemistry approaches toward distinct representatives of densely populated target families is available.

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