Computational Design of Helical Peptides Targeting TNFα

Authors

  • Dr. Changsheng Zhang,

    1. 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)
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    • These authors contributed equally to this work.

  • Qi Shen,

    1. Center for Quantitative Biology, Peking University (China)
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    • These authors contributed equally to this work.

  • Bo Tang,

    1. Center for Quantitative Biology, Peking University (China)
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  • Prof. Luhua Lai

    Corresponding author
    1. 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)
    2. Center for Quantitative Biology, Peking University (China)
    • 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)

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  • This work was supported in part by the Ministry of Science and Technology of China (2009CB918500) and the National Natural Science Foundation of China (11021463, 90913021). TNFα=tumor necrosis factor-α.

Abstract

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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).

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