Ontology highlight
ABSTRACT:
SUBMITTER: Smith BJ
PROVIDER: S-EPMC3970217 | biostudies-literature | 2013 Sep
REPOSITORIES: biostudies-literature
Smith Brian J BJ Lee Erinna F EF Checco James W JW Evangelista Marco M Gellman Samuel H SH Fairlie W Douglas WD
Chembiochem : a European journal of chemical biology 20130808 13
We have used computational methods to improve the affinity of a foldamer ligand for its target protein. The effort began with a previously reported α/β-peptide based on the BH3 domain of the proapoptotic protein Puma; this foldamer binds tightly to Bcl-x(L) but weakly to Mcl-1. The crystal structure of the Puma-derived α/β-peptide complexed to Bcl-x(L) was used as the basis for computational design of variants intended to display improved binding to Mcl-1. Molecular modelling suggested modificat ...[more]