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Approaching Target Selectivity by De Novo Drug Design.
Journal article

Approaching Target Selectivity by De Novo Drug Design.

  • Fischer T a Center of Organic and Medicinal Chemistry, Institute of Chemistry and Biotechnology , Zurich University of Applied Sciences ZHAW , Wädenswil , Switzerland.
  • Gazzola S b Dipartimento di Scienza e Alta Tecnologia , Università degli Studi dell'Insubria , Como , Italy.
  • Riedl R a Center of Organic and Medicinal Chemistry, Institute of Chemistry and Biotechnology , Zurich University of Applied Sciences ZHAW , Wädenswil , Switzerland.
  • 2019-06-11
Published in:
  • Expert opinion on drug discovery. - 2019
drug design
drug discovery
fragment-based drug design
ligand-based drug design
medicinal chemistry
selectivity
structure-based drug design
Drug Design
Drug Development
Drug Discovery
Humans
Ligands
Molecular Targeted Therapy
Structure-Activity Relationship
English 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.
Language
  • English
Open access status
closed
Identifiers
Persistent URL
https://folia.unifr.ch/global/documents/223751
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