Accurate de novo design of membrane-traversing macrocycles
Gaurav Bhardwaj(University of Washington), Jacob O’Connor(University of Washington), Stephen Rettie(University of Washington), Yen‐Hua Huang(University of Queensland), Theresa A. Ramelot(Rensselaer Polytechnic Institute), Vikram Khipple Mulligan(University of Washington), Gizem Gokce Alpkilic(University of Washington), Jonathan Palmer(University of Washington), Asim K. Bera(University of Washington), Matthew J. Bick(University of Washington), Maddalena Di Piazza(University of Washington), Xinting Li(University of Washington), Parisa Hosseinzadeh(University of Washington), Timothy W. Craven(University of Washington), Roberto Tejero(Universitat de València), Anna Lauko(University of Washington), Ryan Choi(University of Washington), Calina Glynn(University of California, Los Angeles), Linlin Dong(Takeda (United States)), Robert Griffin(Takeda (United States)), Wesley C. Van Voorhis(University of Washington), Jose Rodriguez(University of California, Los Angeles), Lance Stewart(University of Washington), G.T. Montelione(Rensselaer Polytechnic Institute), David J. Craik(ARC Centre of Excellence for Innovations in Peptide and Protein Science), David Baker(University of Washington)
Cited by 168Open Access
Abstract
cm/s. Designs with exposed NH groups can be made membrane permeable through the design of an alternative isoenergetic fully hydrogen-bonded state favored in the lipid membrane. The ability to robustly design membrane-permeable and orally bioavailable peptides with high structural accuracy should contribute to the next generation of designed macrocycle therapeutics.
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