Computer-Aided Drug Design for Cancer Therapy

Détails

ID Serval
serval:BIB_7CB4A862858D
Type
Partie de livre
Sous-type
Chapitre: chapitre ou section
Collection
Publications
Institution
Titre
Computer-Aided Drug Design for Cancer Therapy
Titre du livre
Systems Medicine
Auteur⸱e⸱s
Daina Antoine, Röhrig Ute F., Zoete Vincent
Editeur
Elsevier
ISBN
9780128160787
Statut éditorial
Publié
Date de publication
2021
Pages
386-401
Langue
anglais
Résumé
It is widely accepted that the design of a novel drug is a challenging, time-consuming and very expensive endeavor. Consequently, approaches to increase the speed and to decrease the failure rate and the cost of drug discovery programs are of major importance. Among them, computer-aided drug design has become a key source for information, rationalization and inventiveness. Meanwhile, cancer remains one of the most lethal diseases with 18.1 million cases and 9.6 million deaths in 2018. Although therapeutic options continually progress, there is still an urgent need for novel and more efficient cancer treatments.
Here, we review the general concepts and algorithms of computer-aided drug design and illustrate them with selected methodological developments. We also provide numerous recent examples of applications for the design of anticancer drugs, which demonstrate the capacity of such in silico approaches to help expediting the creation of new treatments and their impact in oncology. We ultimately discuss the importance of the emerging drug repurposing and polypharmacology strategies in the search for new cancer therapies, and the role of computer-aided drug design in this context.
Mots-clé
ADME Cancer Computer-aided drug design Docking Drug repurposing Drugs Oncology Polypharmacology Screening Target prediction
Création de la notice
08/07/2021 14:29
Dernière modification de la notice
09/07/2021 5:37
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