Ontology highlight
ABSTRACT:
SUBMITTER: Zanuy D
PROVIDER: S-EPMC7553648 | biostudies-literature | 2013 Jan
REPOSITORIES: biostudies-literature
Zanuy David D Sayago Francisco J FJ Revilla-López Guillem G Ballano Gema G Agemy Lilach L Kotamraju Venkata Ramana VR Jiménez Ana I AI Cativiela Carlos C Nussinov Ruth R Sawvel April M AM Stucky Galen G Ruoslahti Erkki E Alemán Carlos C
Journal of computer-aided molecular design 20121214 1
We present a chemical strategy to engineer analogs of the tumor-homing peptide CREKA (Cys-Arg-Glu-Lys-Ala), which binds to fibrin and fibrin-associated clotted plasma proteins in tumor vessels (Simberg et al. in Proc Natl Acad Sci USA 104:932-936, 2007) with improved ability to inhibit tumor growth. Computer modeling using a combination of simulated annealing and molecular dynamics were carried out to design targeted replacements aimed at enhancing the stability of the bioactive conformation of ...[more]