Computational Simulation of Aptamer-target Binding Mechanisms
10.13865/j.cnki.cjbmb.2024.08.1109
- VernacularTitle:适配体-靶标结合机制的计算模拟
- Author:
Yuan-Yuan YANG
1
;
Fei XU
;
Xiu-Xiu WU
Author Information
1. 上海理工大学健康科学与工程学院,上海食品快速检测工程技术研究中心,上海200093
- Keywords:
computational simulation;
aptamer;
target;
binding mechanism;
intermolecular forces
- From:
Chinese Journal of Biochemistry and Molecular Biology
2024;40(11):1550-1562
- CountryChina
- Language:Chinese
-
Abstract:
Aptamers are a type of single-chain oligonucleotide that can combine with a specific target.Due to their simple preparation,easy modification,stable structure and reusability,aptamers have been widely applied as biochemical sensors for medicine,food safety and environmental monitoring.However,there is little research on aptamer-target binding mechanisms,which limits their application and develop-ment.Computational simulation has gained much attention for revealing aptamer-target binding mecha-nisms at the atomic level.This work summarizes the main simulation methods used in the mechanistic a-nalysis of aptamer-target complexes,the characteristics of binding between aptamers and different targets (metal ions,small organic molecules,biomacromolecules,cells,bacteria and viruses ),the types of aptamer-target interactions and the factors influencing their strength.It provides a reference for further use of simulations in understanding aptamer-target binding mechanisms.
