分子对接技术在化学生物传感领域中的应用

Application of molecular docking technology in the field of chemo/bio-sensing

分子对接技术是一种广泛应用于化学生物传感以及制药领域的理论计算方法。基于对分子之间亲和力的预测和评估,为传感器设计、揭示信号转导机制、性能优化和传感器构建提供了有力的工具。该文对不同分子对接方法进行了说明和比较,并概述了分子对接技术为构建高效、高灵敏和高选择性的化学传感器提供了理论指导,重点阐述了分子对接技术在电化学传感、光学传感和气体传感中的研究进展和应用,表明了分子对接技术对化学传感器的构建具有十分重要的意义。

Molecular docking is a widely used computational method in the fields of chemo/bio-sensing and pharmaceutical research.It provides a powerful tool for sensor design,elucidating signal transduction mechanisms,performance optimization,and sensor construction by predicting and evaluating the affinity between molecules.This paper provides an explanation and comparison of different molecular docking methods,and outlines the theoretical guidance offered by molecular docking technology for the development of efficient,sensitive,and selective chemical sensors.It particularly highlights the research progress and applications of molecular docking technology in electrochemical sensing,optical sensing,and gas sensing.It clearly demonstrates the significant importance of molecular docking technology in the construction of chem/bio-sensors.