具有抗癌活性的金属配合物的量子化学研究进展

Recent Research Progress on the Quantum Chemistry Study of Metal Complexes with Anticancer Activity

将量子化学原理及方法引入药物设计研究领域,从更高的理论起点来认识药物分子在微观尺度上的电子结构和各种量子化学参数,将对药物研发具有着重要的意义。本文简要介绍了量子化学计算在传统铂类抗癌药物以及新型抗癌金属配合物研究中的应用研究进展,为相关抗癌配合物的研发提供理论参考。

Introducing quantum chemistry calculation into the research field of drug design will provide a microscale understanding on the electronic structure and quantum chemistry parameters on the drug molecules from a higher theoretical starting point, which will be of great significance to the development of new drugs. This paper briefly reviewed the application of quantum chemical calculations in the study of traditional platinum drugs and some other new anticancer metal complexes to offer theoretical references for the further development on antitumor complexes in the future.