In silico design of quadruplex aptamers against the spike protein of SARS-CoV-2

Mandana Behbahani; Hassan Mohabatkar; Barumand Hosseini

doi:10.1016/j.imu.2021.100757

In silico design of quadruplex aptamers against the spike protein of SARS-CoV-2

Inform Med Unlocked. 2021:26:100757. doi: 10.1016/j.imu.2021.100757. Epub 2021 Oct 14.

Authors

Mandana Behbahani¹, Hassan Mohabatkar¹, Barumand Hosseini¹

Affiliation

¹ Department of Biotechnology, Faculty of Biological Science and Technology, University of Isfahan, Hezar Jareeb St., Isfahan, 81746-73441, Iran.

Abstract

Nucleic acid aptamers are short sequences of nucleic acid ligands that bind to a specific target molecule. Aptamers are experimentally nominated using the well-designed SELEX (systematic evolution of ligands by exponential enrichment) method. Here, we designed a new method for diagnosis and blocking SARS-CoV-2 based on G-quadruplex aptamer. This aptamer was developed against the receptor-binding domain (RBD) region of the spike protein. In the current study, ten quadruplex DNA aptamers entitled AP1, AP2, AP3, AP4, AP5, AP6, AP7, AP8, AP9, and AP10 were designed in silico and had high HADDOCK scores. One quadruplex aptamer sequence (AP1) was selected based on the interaction with RBD of SARS-CoV-2. Results showed that AP1 aptamer could be used as an agent in the diagnosis and therapy of SARS-CoV-2, although more works are still needed.

Keywords: DNA Aptamer; In silico; Non-SELEX approach; SARS-CoV-2.

Publication types

Editorial