Ontology highlight
ABSTRACT:
SUBMITTER: Villar EA
PROVIDER: S-EPMC4417626 | biostudies-literature | 2014 Sep
REPOSITORIES: biostudies-literature
Villar Elizabeth A EA Beglov Dmitri D Chennamadhavuni Spandan S Porco John A JA Kozakov Dima D Vajda Sandor S Whitty Adrian A
Nature chemical biology 20140720 9
The potential utility of synthetic macrocycles (MCs) as drugs, particularly against low-druggability targets such as protein-protein interactions, has been widely discussed. There is little information, however, to guide the design of MCs for good target protein-binding activity or bioavailability. To address this knowledge gap, we analyze the binding modes of a representative set of MC-protein complexes. The results, combined with consideration of the physicochemical properties of approved macr ...[more]