In silico molecular docking validation of procalcitonin-binding aptamer and sepsis diagnosis

Abstract

Background Procalcitonin (PCT) is a protein that can be used as a biomarker for sepsis detection. Sepsis is a disease where early diagnosis is crucial. Using PCT for sepsis diagnosis can be a new alternative that overcomes limitations of traditional sepsis diagnostic methods. Objective To develop a sepsis diagnostic platform for PCT detection using a novel material called aptamer. Results Aptamers that could specifically bind to PCT were selected and various molecular biology analysis methods were utilized to confirm the binding affinity between selected aptamers and PCT. Additionally, in silico structural analysis was conducted to gain a more detailed understanding of the binding structure between the aptamer and PCT using the results of molecular experiments as supporting evidence. Ultimately, an aptamer-based PCT detection platform was developed and its ability to detect PCT in general and serum samples with high sensitivity and specificity was confirmed. Conclusion Through this study, we were able to develop a technique for early disease diagnosis using aptamer-based protein detection. We also performed aptamer binding validation studies using a combination of molecular validation and in silico validation methods.

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