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 robust options in sleek chemistry and biology, linking combinatorial chemistry with genomics and proteomics.The first reference dedicated to the subject, this updated source covers all levels of the early drug discovery strategy, from goal choice to compound library and lead design.With the mixed services of 20 learn teams from academia and from top pharmaceutical businesses, this e-book is a must have for each drug developer and medicinal chemist utilising the robust equipment of chemogenomics to hurry up the drug discovery strategy.

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AChE inh. 8 Chemical structures of derivatized 2-aminothiazoles displaying biological activities on numerous target proteins. 7 Recurring Structures Devoid of Target Family Correlations 23 compound files always was a common synthetic route, rather than an explicit pharmacophore pattern comparison across the target types to be screened. This is exemplified by the 2-aminothiazole core that is found in numerous drugs, as well as clinical and preclinical candidates, addressing a broad spectrum of targets [3].

Imidazo[1,2-a]pyridine Cl Cl X search profile AII antagonist Losartan Cl N (X) (X) O OH N N (X) H N H N O 30 1 Target Family-directed Masterkeys in Chemogenomics Based on that high-micromolar hit, the benzyloxy-heteroaromatic substructure was defined as a constant core for a virtual database screening that revealed 400 compounds containing the desired structural element of the search profile. 14) emerged as a promising candidate that was synthetically expanded into a lead finding and optimization program [65].

From the mid 1990s onwards it was widely claimed that the trend toward structurebased molecular design seemed to have fallen well short of expected productivity gains. Concomitantly, molecular biology gained full impact in the early discovery phases of preclinical research, and the accompanying development of highthroughput screening (HTS) and combinatorial chemistry was believed to efficiently remove one of the most persisting bottlenecks in drug discovery, notably the generation of progressible lead compounds [13].

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