7 peptide for blocking CTLA4 in immunotherapy
An immunotherapy, L-type technology, applied in the field of biomedicine, can solve problems such as limited technical effect
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Embodiment 1
[0023] It should be noted that the polypeptide claimed in this application is obtained by screening with relevant software and databases, so this embodiment first briefly describes the background of relevant software and databases as follows.
[0024] Screening software: MOE software (Molecular Operating Environment), purchased from Shanghai Daku Data Center, version number: MOE 2016.0802.
[0025] Virtual 7-peptide library construction: In the MOE software, under the Protein Builder module, select the D-type amino acid of ACDEFGH (mainly to avoid repetitions) to construct a 3D structure; then under the Protein design module, select Residue Scan, and set the Display option to All Residues , select 20 kinds of D-type amino acids for each site, set the Site Limit to 7, perform simultaneous mutation at multiple sites, and check the Properties option at the same time to calculate the stability of each polypeptide; finally, after the peptide library is generated, remove the repeated...
Embodiment 2
[0031] Based on the 7-peptide library and homo CTLA4 amino acid sequence in Example 1, and using the principle of protein-protein docking technology, the inventors conducted further screening. The specific process is as follows:
[0032] First, use the Quickprep Panel module in the MOE software to complete the structural preparation of the optimized CTLA4 structure in Example 1 (the process and results are as follows figure 2 B and 2C);
[0033] Subsequently, according to the binding pocket of CTLA4 as the binding site of the D-type polypeptide, the inhibitor of the D-type 7 peptide was screened;
[0034] Finally, for docking, set Pre-Placement: 1000, Placement: 100, Refinement: 1 in pose.
[0035] When screening, use the CTLA4 binding site as the Docking site, screen the D-type peptides of CTLA4 through the Protein-Protein docking mode, sort the screening results according to the S value (energy value), and select the top 10 D peptides (Top10 ) result as a candidate sequen...
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