Computational Design of a New Aflatoxin B1 Aptamer in lieu of SELEX Technique

Abstract

Mycotoxins are extremely dangerous, and their detection in our environment, food and feed is becoming increasingly important. Biosensors are being implemented heavily in mycotoxin detection along with other significant applications. Aptamers have numerous beneficial advantages as biorecognition molecules and are being used as the biorecognition part of biosensors (Aptasensors). The development of aptamers does not require inducing immune response against the target, but the SELEX method is used. The SELEX method is laborious, time consuming and can be expensive at times. Various efforts were done to replace that method with a computational alternative to reduce the effort, time and money needed to develop and design aptamers. One of the most significant efforts to achieve that was the MAWS algorithm. We used the MAWS algorithm to develop a new aptamer against aflatoxin B1, the most dangerous mycotoxin. The MAWS algorithm failed to function properly, and molecular modelling and molecular docking was used alternatively to achieve the same goal. A new pipeline for predicting ssDNA aptamers was proposed, a new aptamer against aflatoxin B1 was obtained and recommendations for further future research directions were given.