Biocompatibility prediction of the designed peptide aptamer

To predict the biocompatibility of the peptide aptamer, solubility prediction, hemolytic probability, anti-inflammatory potential and plasma protein binding were studied. Solubility prediction was performed in Protein-Sol server [52]. The average solubility of the experimental dataset used in the server is 0.45. Protein with a value higher than 0.45 will be considered as a soluble protein. Since the aptamer will be circulated via the bloodstream, there will be a frequent collision between plasma proteins and the aptamer. To study the impact of these collisions, a docking study of human serum albumin (the most abundant plasma protein) and peptide aptamer was performed in ClusPro 2.0 server [49]. The structure of human serum albumin (HSA) was retrieved from RCSB PDB with ID 1AO6. Red blood cells constitute about half of the blood volume. Hemoglobin is a well-known protein localized in the red blood cells. Hemolysis is a term used to describe the destruction of red blood cells, and agents that cause hemolysis are called hemolytic agents. Since the aptamer will be released into the bloodstream, the hemolytic probability of the aptamer has been predicted in HemoPI server [53]. The anti-inflammatory potential of the peptide aptamer was predicted using the AIPred server [54].

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