investigating the affinity of ssdna aptamers toward ampicillin for aptasensor development: genetic algorithm & molecular docking studies

In this study, using the genetic algorithm (ga) methodology and in silico studies, a ssdna aptamer with high affinity and selectivity for ampicillin (amp) was developed. corresponding sequences reported in the literature were modified by ga rounds and an initial library and different generations of oligonucleotides were generated. a pipeline described in our previous work was applied to predict the tertiary structures of the desired aptamers. the affinity of generated sequences of aptamers against amp was studied using molecular docking studies. the docking score results and receptor–ligand interactions were analyzed. finally, the uni4 aptamer with the most appropriate docking score, the best interactions with ampicillin, and consequently higher affinity against the target ligand was selected. the selected aptamer can be used in the design of aptasensor to detect ampicillin in various samples.