Harnessing conformational drivers in drug design.
Conformation preferences
Conformational analysis
Conformational design
Conformational drivers
Conformational ensemble
Conformer
Torsional preferences
Journal
Progress in medicinal chemistry
ISSN: 0079-6468
Titre abrégé: Prog Med Chem
Pays: Netherlands
ID NLM: 0376452
Informations de publication
Date de publication:
2024
2024
Historique:
medline:
7
10
2024
pubmed:
7
10
2024
entrez:
6
10
2024
Statut:
ppublish
Résumé
This review article explores the pivotal role of conformational drivers in the discovery of drug-like molecules and illustrates their significance through real-life examples. Understanding molecular conformation is paramount to drug hunting as it can impact on- and off-target potency, metabolism, permeability, and solubility. Each conformational driver or effector is described and exemplified in a separate section. The final section is dedicated to NMR spectroscopy and illustrates its utility as an essential tool for conformational design.
Identifiants
pubmed: 39370240
pii: S0079-6468(24)00001-8
doi: 10.1016/bs.pmch.2024.07.001
pii:
doi:
Substances chimiques
Pharmaceutical Preparations
0
Types de publication
Journal Article
Review
Langues
eng
Sous-ensembles de citation
IM
Pagination
1-60Informations de copyright
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