Publication type: Article in scientific journal
Type of review: Peer review (publication)
Title: Approaching target selectivity by de novo drug design
Authors: Fischer, Thomas
Gazzola, Silvia
Riedl, Rainer
et. al: No
DOI: 10.1080/17460441.2019.1615435
Published in: Expert Opinion on Drug Discovery
Volume(Issue): 14
Issue: 8
Pages: 791
Pages to: 803
Issue Date: 10-Jun-2019
Publisher / Ed. Institution: Taylor & Francis
ISSN: 1746-0441
Language: English
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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