پديدآورندگان :
Naseri Masoomeh Department of Chemistry, Central Tehran Branch, Islamic Azad University, Tehran, Iran , Bagherzadeh Kowsar Eye Research Center, Five Senses Health Institute, Rassoul Akram Hospital, Iran University of Medical Sciences/Stem Cell and Regenerative Medicine Research Center, Iran University of Medical Sciences, Tehran, Iran , Niazi Ali Department of Chemistry, Central Tehran Branch, Islamic Azad University, Tehran, Iran
كليدواژه :
Ampicillin , aptamer , genetic algorithm (GA) , molecular docking , ssDNA
چكيده فارسي :
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.
