|Publication type:||Article in scientific journal|
|Type of review:||Peer review (publication)|
|Title:||Approaching target selectivity by de novo drug design|
|Published in:||Expert Opinion on Drug Discovery|
|Publisher / Ed. Institution:||Taylor & Francis|
|Subjects:||Drug design; Fragment-based drug design; Ligand-based drug design; Medicinal chemistry; Selectivity; Structure-based drug design; Drug development; Drug discovery; Humans; Ligands; Structure-activity relationship; Molecular targeted therapy|
|Subject (DDC):||615: Pharmacology and therapeutics|
|Abstract:||Introduction: The development of drug candidates with a defined selectivity profile and a unique molecular structure is of fundamental interest for drug discovery. In contrast to the costly screening of large substance libraries, the targeted de novo design of a drug by using structural information of either the biological target and/or structure-activity relationship data of active modulators offers an efficient and intellectually appealing alternative. Areas covered: This review provides an overview on the different techniques of de novo drug design (ligand-based drug design, structure-based drug design, and fragment-based drug design) and highlights successful examples of this targeted approach toward selective modulators of therapeutically relevant targets. Expert opinion: De novo drug design has established itself as a very efficient method for the development of potent and selective modulators for a variety of different biological target classes. The ever-growing wealth of structural data on therapeutic targets will certainly further enhance the importance of de novo design for the drug discovery process in the future. However, a consistent use of the terminology of de novo drug design in the scientific literature should be sought.|
|Fulltext version:||Published version|
|License (according to publishing contract):||Licence according to publishing contract|
|Departement:||Life Sciences and Facility Management|
|Organisational Unit:||Institute of Chemistry and Biotechnology (ICBT)|
|Appears in collections:||Publikationen Life Sciences und Facility Management|
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