title: Computational design of helical peptides targeting TNFα.
abstract: Find and bind: A computational strategy for designing single-helical peptides that can bind to a target protein was developed. After identification of potential helix-binding positions, sequences and binding conformations were derived theoretically, and explored by experimental screening. This method was successfully applied in designing peptide inhibitors for a therapeutic target, tumor necrosis factor-α (TNFα).
authors.affiliation: BNLMS, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, and Peking-Tsinghua Center for Life Sciences at College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China).
authors.forename: Changsheng
authors.initials: C
authors.lastname: Zhang
authors.forename: Qi
authors.initials: Q
authors.lastname: Shen
authors.forename: Bo
authors.initials: B
authors.lastname: Tang
authors.forename: Luhua
authors.initials: L
authors.lastname: Lai
mesh_terms: D006801:Humans; D008958:Models, Molecular; D010455:Peptides / Q000737:chemistry* / Q000378:metabolism*; D011485:Protein Binding; D017433:Protein Structure, Secondary; D013329:Structure-Activity Relationship; D014409:Tumor Necrosis Factor-alpha / Q000037:antagonists & inhibitors* / Q000737:chemistry* / Q000378:metabolism
chemical_list: D010455:Peptides; D014409:Tumor Necrosis Factor-alpha
keywords: TNFα; computational design; helical peptides; protein-protein interactions; protein/peptide drug