Ontology highlight
ABSTRACT:
SUBMITTER: Achenbach J
PROVIDER: S-EPMC4027374 | biostudies-literature | 2013 Dec
REPOSITORIES: biostudies-literature
ACS medicinal chemistry letters 20131023 12
Design of multitarget drugs and polypharmacological compounds has become popular during the past decade. However, the main approach to design such compounds is to link two selective ligands via a flexible linker. Although such chimeric ligands often have reasonable potency in vitro, the in vivo efficacy is low due to high molecular weight, low ligand efficiency, and poor pharmacokinetic profile. We developed an unprecedented in silico approach for fragment-based design of multitarget ligands. It ...[more]