Ruoslahti Research Laboratories at UC Santa Barbara and Sanford-Burnham
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Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing

Zanuy, David Sayago, Francisco J. Revilla-López, Guillem Ballano, Gema Agemy, Lilach Kotamraju, Venkata Ramana Jiménez, Ana I. Cativiela, Carlos Nussinov, Ruth Sawvel, April M. ...

Published in Journal of Computer-Aided Molecular Design

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 simulate...

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