Computational Design of Helical Peptides Targeting TNFα†
Dr. Changsheng Zhang
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)
These authors contributed equally to this work.
Search for more papers by this authorQi Shen
Center for Quantitative Biology, Peking University (China)
These authors contributed equally to this work.
Search for more papers by this authorBo Tang
Center for Quantitative Biology, Peking University (China)
Search for more papers by this authorCorresponding Author
Prof. Luhua Lai
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)
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)Search for more papers by this authorDr. Changsheng Zhang
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)
These authors contributed equally to this work.
Search for more papers by this authorQi Shen
Center for Quantitative Biology, Peking University (China)
These authors contributed equally to this work.
Search for more papers by this authorBo Tang
Center for Quantitative Biology, Peking University (China)
Search for more papers by this authorCorresponding Author
Prof. Luhua Lai
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)
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)Search for more papers by this authorThis 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.
Graphical 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).
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